N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C18H26N2O — CID 69221349

IUPACN-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c21-18(19-16-11-3-1-2-4-12-16)20-14-8-7-10-15-9-5-6-13-17(15)20/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H,19,21)
InChIKeyNGONJNLQPPLFKR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.26
Rot. Bonds1

About N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69221349) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69221349
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCCCc2ccccc21
InChIInChI=1S/C18H26N2O/c21-18(19-16-11-3-1-2-4-12-16)20-14-8-7-10-15-9-5-6-13-17(15)20/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H,19,21)
InChIKeyNGONJNLQPPLFKR-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[(E)-2-cyclopentylethenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108911667
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69221349) is N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NC1CCCCCC1)N1CCCCc2ccccc21.
What is the InChIKey of N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is NGONJNLQPPLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-16-11-3-1-2-4-12-16)20-14-8-7-10-15-9-5-6-13-17(15)20/h5-6,9,13,16H,1-4,7-8,10-12,14H2,(H,19,21).
What are the key properties of N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69221349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).