(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C19H29NO2 — CID 892019

IUPAC(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(=O)NCCC3=CCCCC3)CC[C@]1(C)C(=O)C2
InChIInChI=1S/C19H29NO2/c1-17(2)18(3)10-11-19(17,13-15(18)21)16(22)20-12-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,20,22)/t18-,19+/m1/s1
InChIKeyKOICUIWFWHIGGC-MOPGFXCFSA-N
MW303.45 g/mol
LogP3.78
Rot. Bonds4

About (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 892019) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID892019
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(=O)NCCC3=CCCCC3)CC[C@]1(C)C(=O)C2
InChIInChI=1S/C19H29NO2/c1-17(2)18(3)10-11-19(17,13-15(18)21)16(22)20-12-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,20,22)/t18-,19+/m1/s1
InChIKeyKOICUIWFWHIGGC-MOPGFXCFSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-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

(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
4,7,7-trimethyl-3-oxo-N-(2-piperidin-1-ylethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2941915
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 106175171
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43021168
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 892019) is (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@@]2(C(=O)NCCC3=CCCCC3)CC[C@]1(C)C(=O)C2.
What is the InChIKey of (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is KOICUIWFWHIGGC-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H29NO2/c1-17(2)18(3)10-11-19(17,13-15(18)21)16(22)20-12-9-14-7-5-4-6-8-14/h7H,4-6,8-13H2,1-3H3,(H,20,22)/t18-,19+/m1/s1.
What are the key properties of (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-[2-(cyclohexen-1-yl)ethyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 892019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).