N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C18H26N2O — CID 69223772

IUPACN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c21-18(19-14-15-8-2-1-3-9-15)20-13-7-6-11-16-10-4-5-12-17(16)20/h4-5,10,12,15H,1-3,6-9,11,13-14H2,(H,19,21)
InChIKeyYJZPOSDVJCLUNR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.12
Rot. Bonds2

About N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69223772) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69223772
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCC1CCCCC1)N1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c21-18(19-14-15-8-2-1-3-9-15)20-13-7-6-11-16-10-4-5-12-17(16)20/h4-5,10,12,15H,1-3,6-9,11,13-14H2,(H,19,21)
InChIKeyYJZPOSDVJCLUNR-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2-(cyclopropylmethylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone;hydrochloride
CID 119732412
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69223772) is N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NCC1CCCCC1)N1CCCCc2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is YJZPOSDVJCLUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-14-15-8-2-1-3-9-15)20-13-7-6-11-16-10-4-5-12-17(16)20/h4-5,10,12,15H,1-3,6-9,11,13-14H2,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69223772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).