N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

C22H25NO — CID 2893058

IUPACN-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCCC2C3c2ccccc2)cc1C
InChIInChI=1S/C22H25NO/c1-14-11-12-17(13-15(14)2)23-22(24)21-18-9-6-10-19(21)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-13,18-21H,6,9-10H2,1-2H3,(H,23,24)
InChIKeyUUYFCUCKYNHHLB-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.07
Rot. Bonds3

About N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 2893058) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
PubChem CID2893058
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCCC2C3c2ccccc2)cc1C
InChIInChI=1S/C22H25NO/c1-14-11-12-17(13-15(14)2)23-22(24)21-18-9-6-10-19(21)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-13,18-21H,6,9-10H2,1-2H3,(H,23,24)
InChIKeyUUYFCUCKYNHHLB-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R,6R)-6-[(3,4-dimethylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 11943960
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(1S,5S)-N-naphthalen-1-yl-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375079
(1R,2R,3R,4S)-3-[(3,4-dimethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557980
(1S,2S,4R,5S,6R,7R)-7-[(3,4-dimethylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124718232
(1S,5S)-N-(2-nitrophenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 7375073
7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 3264055
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide (CID 2893058) is N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is Cc1ccc(NC(=O)C2C3CCCC2C3c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is UUYFCUCKYNHHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-14-11-12-17(13-15(14)2)23-22(24)21-18-9-6-10-19(21)20(18)16-7-4-3-5-8-16/h3-5,7-8,11-13,18-21H,6,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide?
N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 2893058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).