(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide

C23H25NO2 — CID 7124033

IUPAC(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)C2
InChIInChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3/t22-,23+/m0/s1
InChIKeyNKGOWKBRWRLSPL-XZOQPEGZSA-N
MW347.46 g/mol
LogP5.14
Rot. Bonds3

About (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide

(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 7124033) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID7124033
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)C2
InChIInChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3/t22-,23+/m0/s1
InChIKeyNKGOWKBRWRLSPL-XZOQPEGZSA-N
XLogP5.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
CID 50937528
(1R,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6545332
(1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6933722
(1S,4S)-1,7,7-trimethyl-4-(4-phenylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98115733
N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 4713599
(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138014
(1R,4S)-N-(2-ethylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 830270
(1R,4R)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6542196
methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
(1S,4S)-4,7,7-trimethyl-3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98139186
N'-(2-methoxybenzoyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728349
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide (CID 7124033) is (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@]2(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)C2.
What is the InChIKey of (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is NKGOWKBRWRLSPL-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H25NO2/c1-21(2)22(3)14-15-23(21,16-19(22)25)20(26)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3/t22-,23+/m0/s1.
What are the key properties of (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide?
(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 7124033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).