2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine

C71H80F9N15O11 — CID 158101395

IUPAC2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN(C)C)c[nH]c2c1.Cc1ccc2c(CN3CC[C@@H](NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)C3)c[nH]c2c1.Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCNC1.O=C(CNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H26F3N5O3.C21H21F3N4O5.C14H17F3N4O3.C12H16N2/c1-14-2-4-18-15(10-29-21(18)8-14)12-32-7-6-16(13-32)31-22(33)11-30-23(34)19-9-17(3-5-20(19)28)35-24(25,26)27;22-21(23,24)33-16-6-7-18(28(31)32)17(10-16)20(30)25-11-19(29)26-15-8-9-27(13-15)12-14-4-2-1-3-5-14;15-14(16,17)24-9-1-2-11(18)10(5-9)13(23)20-7-12(22)21-8-3-4-19-6-8;1-9-4-5-11-10(8-14(2)3)7-13-12(11)6-9/h2-5,8-10,16,29H,6-7,11-13,28H2,1H3,(H,30,34)(H,31,33);1-7,10,15H,8-9,11-13H2,(H,25,30)(H,26,29);1-2,5,8,19H,3-4,6-7,18H2,(H,20,23)(H,21,22);4-7,13H,8H2,1-3H3/t16-;15-;8-;/m111./s1
InChIKeyFPHMGQOGPYKJKG-WMBKCCOQSA-N
MW1490.50 g/mol
LogP8.60
Rot. Bonds22

About 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine

2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine (PubChem CID 158101395) has the molecular formula C71H80F9N15O11 and a molecular weight of 1490.50 g/mol. Its IUPAC name is 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine
PubChem CID158101395
Molecular FormulaC71H80F9N15O11
Molecular Weight1490.50 g/mol
Exact Mass1489.60
IUPAC Name2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine
SMILESCc1ccc2c(CN(C)C)c[nH]c2c1.Cc1ccc2c(CN3CC[C@@H](NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)C3)c[nH]c2c1.Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCNC1.O=C(CNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C24H26F3N5O3.C21H21F3N4O5.C14H17F3N4O3.C12H16N2/c1-14-2-4-18-15(10-29-21(18)8-14)12-32-7-6-16(13-32)31-22(33)11-30-23(34)19-9-17(3-5-20(19)28)35-24(25,26)27;22-21(23,24)33-16-6-7-18(28(31)32)17(10-16)20(30)25-11-19(29)26-15-8-9-27(13-15)12-14-4-2-1-3-5-14;15-14(16,17)24-9-1-2-11(18)10(5-9)13(23)20-7-12(22)21-8-3-4-19-6-8;1-9-4-5-11-10(8-14(2)3)7-13-12(11)6-9/h2-5,8-10,16,29H,6-7,11-13,28H2,1H3,(H,30,34)(H,31,33);1-7,10,15H,8-9,11-13H2,(H,25,30)(H,26,29);1-2,5,8,19H,3-4,6-7,18H2,(H,20,23)(H,21,22);4-7,13H,8H2,1-3H3/t16-;15-;8-;/m111./s1
InChIKeyFPHMGQOGPYKJKG-WMBKCCOQSA-N
XLogP8.60
TPSA350.80 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001490.50
LogP ≤ 58.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine with MolForge

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Related Compounds

2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
CID 11352300
(R)-3-[2-(2-amino-5-trifluoromethoxybenzamido)acetamido]-1-(6-methylindol-3-ylmethyl)pyrrolidine
CID 11409211
(R)-3-[2-(2-t-butoxycarbonylamino-5-trifluoromethoxybenzamido)acetamido]-1-(6-methylindol-3-ylmethyl)pyrrolidine
CID 58839053
(R)-2-{[2-amino-5-(trifluoromethoxy)phenyl]carbonylamino}-N-[1-(indol-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 58839055
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;hydrochloride
CID 68935641
2-amino-N-[2-[[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
CID 69440778
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;tert-butyl N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamate;hydrochloride
CID 87836702
benzyl N-[2-[[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethoxy)phenyl]carbamate
CID 140017608
2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
CID 143152840
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;(3R)-1-benzylpyrrolidin-3-amine;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine;methyl 2-aminoacetate;methyl 2-[[2-nitro-5-(trifluoromethoxy)benzoyl]amino]acetate;2-nitro-5-(trifluoromethoxy)benzoic acid;2-[[2-nitro-5-(trifluoromethoxy)benzoyl]amino]acetic acid
CID 157530352
2-(3-ethoxycarbonylindol-1-yl)acetic acid;ethyl 1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylate;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxamide;1-[2-oxo-2-[(2S)-2-[2-[3-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-1-yl]ethyl]indole-3-carboxylic acid;1-[(2S)-pyrrolidin-2-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 158967652
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
CID 161144984

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine (CID 158101395) is 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine is Cc1ccc2c(CN(C)C)c[nH]c2c1.Cc1ccc2c(CN3CC[C@@H](NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)C3)c[nH]c2c1.Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCNC1.O=C(CNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine?
The InChIKey is FPHMGQOGPYKJKG-WMBKCCOQSA-N. The full InChI is InChI=1S/C24H26F3N5O3.C21H21F3N4O5.C14H17F3N4O3.C12H16N2/c1-14-2-4-18-15(10-29-21(18)8-14)12-32-7-6-16(13-32)31-22(33)11-30-23(34)19-9-17(3-5-20(19)28)35-24(25,26)27;22-21(23,24)33-16-6-7-18(28(31)32)17(10-16)20(30)25-11-19(29)26-15-8-9-27(13-15)12-14-4-2-1-3-5-14;15-14(16,17)24-9-1-2-11(18)10(5-9)13(23)20-7-12(22)21-8-3-4-19-6-8;1-9-4-5-11-10(8-14(2)3)7-13-12(11)6-9/h2-5,8-10,16,29H,6-7,11-13,28H2,1H3,(H,30,34)(H,31,33);1-7,10,15H,8-9,11-13H2,(H,25,30)(H,26,29);1-2,5,8,19H,3-4,6-7,18H2,(H,20,23)(H,21,22);4-7,13H,8H2,1-3H3/t16-;15-;8-;/m111./s1.
What are the key properties of 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine?
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine has a molecular weight of 1490.50 g/mol, XLogP of 8.60, 22 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide;2-amino-N-[2-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethoxy)benzamide;N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-2-nitro-5-(trifluoromethoxy)benzamide;N,N-dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 158101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).