N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide

C22H25N3O3 — CID 18082938

IUPACN-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(C)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O3/c1-14-21(18-10-5-6-11-19(18)23-14)22(27)15(2)25(3)13-20(26)24-16-8-7-9-17(12-16)28-4/h5-12,15,23H,13H2,1-4H3,(H,24,26)
InChIKeyYTSGUKQZYYWCKP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.63
Rot. Bonds7

About N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide (PubChem CID 18082938) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
PubChem CID18082938
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(C)C(=O)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C22H25N3O3/c1-14-21(18-10-5-6-11-19(18)23-14)22(27)15(2)25(3)13-20(26)24-16-8-7-9-17(12-16)28-4/h5-12,15,23H,13H2,1-4H3,(H,24,26)
InChIKeyYTSGUKQZYYWCKP-UHFFFAOYSA-N
XLogP3.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9287032
2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027114
N-(2-chlorophenyl)-2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9036720
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide (CID 18082938) is N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide is COc1cccc(NC(=O)CN(C)C(C)C(=O)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The InChIKey is YTSGUKQZYYWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-21(18-10-5-6-11-19(18)23-14)22(27)15(2)25(3)13-20(26)24-16-8-7-9-17(12-16)28-4/h5-12,15,23H,13H2,1-4H3,(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide is sourced from PubChem (CID 18082938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).