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

C19H25NO2 — CID 830270

IUPAC(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H25NO2/c1-5-13-8-6-7-9-14(13)20-16(22)19-11-10-18(4,15(21)12-19)17(19,2)3/h6-9H,5,10-12H2,1-4H3,(H,20,22)/t18-,19+/m1/s1
InChIKeyUOAQTVXDFNJWIG-MOPGFXCFSA-N
MW299.41 g/mol
LogP3.97
Rot. Bonds3

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

(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 830270) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID830270
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C
InChIInChI=1S/C19H25NO2/c1-5-13-8-6-7-9-14(13)20-16(22)19-11-10-18(4,15(21)12-19)17(19,2)3/h6-9H,5,10-12H2,1-4H3,(H,20,22)/t18-,19+/m1/s1
InChIKeyUOAQTVXDFNJWIG-MOPGFXCFSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 887012
4,7,7-trimethyl-3-oxo-N-(2,4,5-trichlorophenyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 4728366
(1R,4S)-N-(2,5-difluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 7332383
(1R,4R)-N-(5-chloro-2-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897869
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501
(1R,4R)-4,7,7-trimethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 6558835
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 830270) is (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C.
What is the InChIKey of (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UOAQTVXDFNJWIG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H25NO2/c1-5-13-8-6-7-9-14(13)20-16(22)19-11-10-18(4,15(21)12-19)17(19,2)3/h6-9H,5,10-12H2,1-4H3,(H,20,22)/t18-,19+/m1/s1.
What are the key properties of (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 830270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).