N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide

C14H18N2O2 — CID 20652045

IUPACN,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC1Nc2ccc(C(=O)N(C)C)cc2CCC1=O
InChIInChI=1S/C14H18N2O2/c1-9-13(17)7-5-10-8-11(14(18)16(2)3)4-6-12(10)15-9/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeyJKBUOHXKAGVVSI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds1

About N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide

N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 20652045) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID20652045
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC1Nc2ccc(C(=O)N(C)C)cc2CCC1=O
InChIInChI=1S/C14H18N2O2/c1-9-13(17)7-5-10-8-11(14(18)16(2)3)4-6-12(10)15-9/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeyJKBUOHXKAGVVSI-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102567770
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
2-oxo-N-(2,2,3,3-tetramethylcyclopropyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103726730
N,N-dimethyl-3-(methylamino)-2,3-dihydro-1H-indene-5-carboxamide
CID 59505376
N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78826066

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 20652045) is N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide is CC1Nc2ccc(C(=O)N(C)C)cc2CCC1=O.
What is the InChIKey of N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is JKBUOHXKAGVVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-13(17)7-5-10-8-11(14(18)16(2)3)4-6-12(10)15-9/h4,6,8-9,15H,5,7H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-oxo-1,2,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 20652045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).