N-benzyl-4,4-dimethylazepane-1-carboxamide

C16H24N2O — CID 103713688

IUPACN-benzyl-4,4-dimethylazepane-1-carboxamide
SMILESCC1(C)CCCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)9-6-11-18(12-10-16)15(19)17-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,17,19)
InChIKeyYDBHQZDSVFSBJO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds2

About N-benzyl-4,4-dimethylazepane-1-carboxamide

N-benzyl-4,4-dimethylazepane-1-carboxamide (PubChem CID 103713688) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-benzyl-4,4-dimethylazepane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4,4-dimethylazepane-1-carboxamide
PubChem CID103713688
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-benzyl-4,4-dimethylazepane-1-carboxamide
SMILESCC1(C)CCCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-16(2)9-6-11-18(12-10-16)15(19)17-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,17,19)
InChIKeyYDBHQZDSVFSBJO-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzylazonane-1-carboxamide
CID 130689649
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 62930165
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
N-benzyl-4-carbamothioyl-4-methylpiperidine-1-carboxamide
CID 107653594
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N-benzyl-4-butanoyl-1,4-diazepane-1-carboxamide
CID 110811324
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4-dimethylazepane-1-carboxamide?
The IUPAC name of N-benzyl-4,4-dimethylazepane-1-carboxamide (CID 103713688) is N-benzyl-4,4-dimethylazepane-1-carboxamide.
What is the SMILES notation for N-benzyl-4,4-dimethylazepane-1-carboxamide?
The canonical SMILES for N-benzyl-4,4-dimethylazepane-1-carboxamide is CC1(C)CCCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4,4-dimethylazepane-1-carboxamide?
The InChIKey is YDBHQZDSVFSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)9-6-11-18(12-10-16)15(19)17-13-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,17,19).
What are the key properties of N-benzyl-4,4-dimethylazepane-1-carboxamide?
N-benzyl-4,4-dimethylazepane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-dimethylazepane-1-carboxamide is sourced from PubChem (CID 103713688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).