N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C18H20N2O3 — CID 32736105

IUPACN-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C18H20N2O3/c1-11-16-13(7-5-8-14(16)21)20-17(11)18(22)19-10-12-6-3-4-9-15(12)23-2/h3-4,6,9,20H,5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyOFTVSNHJEXNNSC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 32736105) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID32736105
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C18H20N2O3/c1-11-16-13(7-5-8-14(16)21)20-17(11)18(22)19-10-12-6-3-4-9-15(12)23-2/h3-4,6,9,20H,5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyOFTVSNHJEXNNSC-UHFFFAOYSA-N
XLogP2.78
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55846959
(2-methoxyphenyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 51175559
N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47037011
4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7930766
N-[3-(N-ethylanilino)propyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37245091
N-[(2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 18427603
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47082963
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 30548877
(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 55996604
3-methyl-4-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47009313
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47065917

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 32736105) is N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is COc1ccccc1CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is OFTVSNHJEXNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-16-13(7-5-8-14(16)21)20-17(11)18(22)19-10-12-6-3-4-9-15(12)23-2/h3-4,6,9,20H,5,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 32736105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).