N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

C19H22N2O — CID 11300878

IUPACN-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
SMILESCC1CNCCc2ccc(C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O/c1-14-12-20-10-9-16-7-8-17(11-18(14)16)19(22)21-13-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyGLERLMLDJKJRAM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.87
Rot. Bonds3

About N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide (PubChem CID 11300878) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
PubChem CID11300878
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
SMILESCC1CNCCc2ccc(C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C19H22N2O/c1-14-12-20-10-9-16-7-8-17(11-18(14)16)19(22)21-13-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyGLERLMLDJKJRAM-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-N-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 69248348
(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 69247574
(5S)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CID 91212770
(5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-phenylmethanone;hydrochloride
CID 69248812
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
(11bR)-N-[(3-methylphenyl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
CID 129150406
5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11310932
(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69441427
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-benzyl-3-(2-methylpropyl)-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277930
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzyl-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 138993218

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The IUPAC name of N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide (CID 11300878) is N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide is CC1CNCCc2ccc(C(=O)NCc3ccccc3)cc21.
What is the InChIKey of N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The InChIKey is GLERLMLDJKJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-12-20-10-9-16-7-8-17(11-18(14)16)19(22)21-13-15-5-3-2-4-6-15/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide is sourced from PubChem (CID 11300878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).