N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide

C12H14N2O2 — CID 3050354

IUPACN-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide
SMILESCNC(=O)N1Cc2ccccc2CCC1=O
InChIInChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyYAQRYOIJMHIUCO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.30
Rot. Bonds

About N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide

N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide (PubChem CID 3050354) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide
PubChem CID3050354
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide
SMILESCNC(=O)N1Cc2ccccc2CCC1=O
InChIInChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16)
InChIKeyYAQRYOIJMHIUCO-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-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-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
2-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 70231632
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
(6aS)-5,6,6a,7,8,11-hexahydropyrrolo[1,2-b][2]benzazepin-9-one
CID 139043408
2-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162637387
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 154463116
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetate
CID 63152884

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide?
The IUPAC name of N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide (CID 3050354) is N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide?
The canonical SMILES for N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide is CNC(=O)N1Cc2ccccc2CCC1=O.
What is the InChIKey of N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide?
The InChIKey is YAQRYOIJMHIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-12(16)14-8-10-5-3-2-4-9(10)6-7-11(14)15/h2-5H,6-8H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide?
N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-4,5-dihydro-1H-2-benzazepine-2-carboxamide is sourced from PubChem (CID 3050354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).