N,N-dibenzylcycloheptene-1-carboxamide

C22H25NO — CID 101069096

IUPACN,N-dibenzylcycloheptene-1-carboxamide
SMILESO=C(C1=CCCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(21-15-9-1-2-10-16-21)23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-15H,1-2,9-10,16-18H2
InChIKeyNHPPMNKMGNBDJY-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.11
Rot. Bonds5

About N,N-dibenzylcycloheptene-1-carboxamide

N,N-dibenzylcycloheptene-1-carboxamide (PubChem CID 101069096) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N,N-dibenzylcycloheptene-1-carboxamide.

Molecular Properties

Compound NameN,N-dibenzylcycloheptene-1-carboxamide
PubChem CID101069096
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN,N-dibenzylcycloheptene-1-carboxamide
SMILESO=C(C1=CCCCCC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(21-15-9-1-2-10-16-21)23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-15H,1-2,9-10,16-18H2
InChIKeyNHPPMNKMGNBDJY-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(pyridin-4-ylmethyl)cyclohexene-1-carboxamide
CID 102234848
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
2-(cyclohexene-1-carbonyloxy)ethyl benzoate
CID 90721732
1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
cyclohepten-1-yl(furan-2-yl)methanone
CID 62080320
2-[benzyl(methyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270852
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
CID 108942896
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
1-[(1E)-cycloocten-1-yl]-2-methyl-2-phenylpropan-1-one
CID 106651815
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylcycloheptene-1-carboxamide?
The IUPAC name of N,N-dibenzylcycloheptene-1-carboxamide (CID 101069096) is N,N-dibenzylcycloheptene-1-carboxamide.
What is the SMILES notation for N,N-dibenzylcycloheptene-1-carboxamide?
The canonical SMILES for N,N-dibenzylcycloheptene-1-carboxamide is O=C(C1=CCCCCC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylcycloheptene-1-carboxamide?
The InChIKey is NHPPMNKMGNBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-22(21-15-9-1-2-10-16-21)23(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-8,11-15H,1-2,9-10,16-18H2.
What are the key properties of N,N-dibenzylcycloheptene-1-carboxamide?
N,N-dibenzylcycloheptene-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylcycloheptene-1-carboxamide is sourced from PubChem (CID 101069096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).