2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

C30H35F3N6O4 — CID 20711070

IUPAC2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C30H35F3N6O4/c1-29(2,34)28(42)36-23(18-43-17-20-10-4-3-5-11-20)26(40)37-24-16-39(19-35-24)25(27(41)38-14-8-9-15-38)21-12-6-7-13-22(21)30(31,32)33/h3-7,10-13,16,19,23,25H,8-9,14-15,17-18,34H2,1-2H3,(H,36,42)(H,37,40)
InChIKeyMPNUJWXMBOSNEH-UHFFFAOYSA-N
MW600.64 g/mol
LogP3.49
Rot. Bonds11

About 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide

2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (PubChem CID 20711070) has the molecular formula C30H35F3N6O4 and a molecular weight of 600.64 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
PubChem CID20711070
Molecular FormulaC30H35F3N6O4
Molecular Weight600.64 g/mol
Exact Mass600.27
IUPAC Name2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
SMILESCC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C30H35F3N6O4/c1-29(2,34)28(42)36-23(18-43-17-20-10-4-3-5-11-20)26(40)37-24-16-39(19-35-24)25(27(41)38-14-8-9-15-38)21-12-6-7-13-22(21)30(31,32)33/h3-7,10-13,16,19,23,25H,8-9,14-15,17-18,34H2,1-2H3,(H,36,42)(H,37,40)
InChIKeyMPNUJWXMBOSNEH-UHFFFAOYSA-N
XLogP3.49
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.64
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide with MolForge

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Related Compounds

(2S)-1-imidazol-1-yl-3-phenylmethoxy-2-(tritylamino)propan-1-one
CID 11123769
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 16668733
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 9849290
2-(3,4-difluorophenyl)-N-methyl-2-(2-methylimidazol-1-yl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10368482
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 11756146
(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-pentanoic acid {1-[1-(4-fluoro-phenyl)-2-hydroxy-ethyl]-1H-imidazol-4-yl}-amide
CID 16113900
(2R)-3,3,3-trifluoro-2-methoxy-N-[(16R)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-16-yl]-2-phenylpropanamide
CID 18665078
(2R)-3,3,3-trifluoro-2-methoxy-N-[(16S)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-16-yl]-2-phenylpropanamide
CID 18665079
N-[1-[[1-[[1-[2-(dimethylamino)-1-(4-fluorophenyl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-methylboronamidic acid
CID 20710746
2-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]acetic acid
CID 20710844
2-[4-[[2-[[2-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 20710848
2-(3,4-Difluorophenyl)-2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]acetic acid
CID 20710849

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide (CID 20711070) is 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
The InChIKey is MPNUJWXMBOSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F3N6O4/c1-29(2,34)28(42)36-23(18-43-17-20-10-4-3-5-11-20)26(40)37-24-16-39(19-35-24)25(27(41)38-14-8-9-15-38)21-12-6-7-13-22(21)30(31,32)33/h3-7,10-13,16,19,23,25H,8-9,14-15,17-18,34H2,1-2H3,(H,36,42)(H,37,40).
What are the key properties of 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide?
2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide has a molecular weight of 600.64 g/mol, XLogP of 3.49, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-oxo-1-[[1-[2-oxo-2-pyrrolidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide is sourced from PubChem (CID 20711070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).