N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

C18H18N2O2 — CID 138993218

IUPACN-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-18(2)14-9-8-13(10-15(14)20-17(18)22)16(21)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVPVIQXZJGFSQU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds3

About N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (PubChem CID 138993218) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
PubChem CID138993218
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C18H18N2O2/c1-18(2)14-9-8-13(10-15(14)20-17(18)22)16(21)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUVPVIQXZJGFSQU-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-4-methoxybenzamide
CID 110784000
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 57261046
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-3,4-difluorobenzamide
CID 1294460
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (CID 138993218) is N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is CC1(C)C(=O)Nc2cc(C(=O)NCc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The InChIKey is UVPVIQXZJGFSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-18(2)14-9-8-13(10-15(14)20-17(18)22)16(21)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 138993218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).