(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

C24H23NO — CID 7375079

IUPAC(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1[C@H]2CCC[C@H]1C2c1ccccc1
InChIInChI=1S/C24H23NO/c26-24(25-21-15-6-11-16-8-4-5-12-18(16)21)23-19-13-7-14-20(23)22(19)17-9-2-1-3-10-17/h1-6,8-12,15,19-20,22-23H,7,13-14H2,(H,25,26)/t19-,20-,22?,23?/m0/s1
InChIKeyIKCGIWILPRYZKB-LHAJZYKRSA-N
MW341.45 g/mol
LogP5.61
Rot. Bonds3

About (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 7375079) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
PubChem CID7375079
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1[C@H]2CCC[C@H]1C2c1ccccc1
InChIInChI=1S/C24H23NO/c26-24(25-21-15-6-11-16-8-4-5-12-18(16)21)23-19-13-7-14-20(23)22(19)17-9-2-1-3-10-17/h1-6,8-12,15,19-20,22-23H,7,13-14H2,(H,25,26)/t19-,20-,22?,23?/m0/s1
InChIKeyIKCGIWILPRYZKB-LHAJZYKRSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4Z,8E,12S)-N-naphthalen-1-ylbicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7271639
(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375073
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 2893058
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 3264055
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (CID 7375079) is (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is O=C(Nc1cccc2ccccc12)C1[C@H]2CCC[C@H]1C2c1ccccc1.
What is the InChIKey of (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is IKCGIWILPRYZKB-LHAJZYKRSA-N. The full InChI is InChI=1S/C24H23NO/c26-24(25-21-15-6-11-16-8-4-5-12-18(16)21)23-19-13-7-14-20(23)22(19)17-9-2-1-3-10-17/h1-6,8-12,15,19-20,22-23H,7,13-14H2,(H,25,26)/t19-,20-,22?,23?/m0/s1.
What are the key properties of (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 7375079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).