N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide

C21H23N3O2 — CID 57291957

IUPACN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2c1
InChIInChI=1S/C21H23N3O2/c1-14-9-10-17-16(11-14)13-18(22-17)20(25)23-19(21(26)24(2)3)12-15-7-5-4-6-8-15/h4-11,13,19,22H,12H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyIFKGZZRADOLFHS-IBGZPJMESA-N
MW349.43 g/mol
LogP2.91
Rot. Bonds5

About N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide

N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 57291957) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide
PubChem CID57291957
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2c1
InChIInChI=1S/C21H23N3O2/c1-14-9-10-17-16(11-14)13-18(22-17)20(25)23-19(21(26)24(2)3)12-15-7-5-4-6-8-15/h4-11,13,19,22H,12H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyIFKGZZRADOLFHS-IBGZPJMESA-N
XLogP2.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 11210633
2-[[2-[(5-methyl-1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 45482486
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
methyl 3-[(5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 46549528
5-chloro-N-[1-(dimethylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 72979930
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
methyl (2S)-2-amino-3-phenylpropanoate;methyl (2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 67759859
3-bromo-5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indole-2-carboxamide
CID 57110781
5-chloro-N-[(2S,3R)-4-[2-(dimethylamino)ethyl-methylamino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 91381965
5-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 11406085

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide (CID 57291957) is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2c1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is IFKGZZRADOLFHS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-9-10-17-16(11-14)13-18(22-17)20(25)23-19(21(26)24(2)3)12-15-7-5-4-6-8-15/h4-11,13,19,22H,12H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 57291957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).