1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide

C18H18N2O2 — CID 52986160

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-5-13(6-4-12)11-19-18(22)14-7-8-16-15(9-14)10-17(21)20(16)2/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyILIBELMZDQMTGD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.44
Rot. Bonds3

About 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide

1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide (PubChem CID 52986160) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
PubChem CID52986160
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-5-13(6-4-12)11-19-18(22)14-7-8-16-15(9-14)10-17(21)20(16)2/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyILIBELMZDQMTGD-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
2-ethyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]butanamide
CID 110781420
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide (CID 52986160) is 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
The InChIKey is ILIBELMZDQMTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-3-5-13(6-4-12)11-19-18(22)14-7-8-16-15(9-14)10-17(21)20(16)2/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide?
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide is sourced from PubChem (CID 52986160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).