4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C19H25NO2 — CID 2984501

IUPAC4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1ccc(CNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-13-5-7-14(8-6-13)12-20-16(22)19-10-9-18(4,15(21)11-19)17(19,2)3/h5-8H,9-12H2,1-4H3,(H,20,22)
InChIKeyIWTTVDGBGHIXEW-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.40
Rot. Bonds3

About 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2984501) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2984501
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1ccc(CNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
InChIInChI=1S/C19H25NO2/c1-13-5-7-14(8-6-13)12-20-16(22)19-10-9-18(4,15(21)11-19)17(19,2)3/h5-8H,9-12H2,1-4H3,(H,20,22)
InChIKeyIWTTVDGBGHIXEW-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
(1R,4R)-N-[2-[bis[2-[[(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl]amino]ethyl]amino]ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 99662094
(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138014
(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 892019
(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830270
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928915
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
N-(5-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2945646
(1R,4R)-N-(5-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897869
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2984501) is 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide is Cc1ccc(CNC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1.
What is the InChIKey of 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is IWTTVDGBGHIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-5-7-14(8-6-13)12-20-16(22)19-10-9-18(4,15(21)11-19)17(19,2)3/h5-8H,9-12H2,1-4H3,(H,20,22).
What are the key properties of 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2984501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).