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

C15H22N2O — CID 113237086

IUPACN,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCCN(CC)C(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C15H22N2O/c1-3-16(4-2)15(18)17-11-9-13-7-5-6-8-14(13)10-12-17/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPYAFXRWJBDIOQR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds2

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

N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 113237086) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID113237086
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCCN(CC)C(=O)N1CCc2ccccc2CC1
InChIInChI=1S/C15H22N2O/c1-3-16(4-2)15(18)17-11-9-13-7-5-6-8-14(13)10-12-17/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPYAFXRWJBDIOQR-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108988971
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2,2-dimethyl-3-oxopropanamide
CID 108963943
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide
CID 71984178
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
3-[ethyl(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)amino]propanoic acid
CID 63153793
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
4-benzhydryl-N,N-diethylpiperazin-4-ium-1-carboxamide
CID 4228452
N-butyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989143
4-[2-(1,3-dioxoisoindol-2-yl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 108568408
2-bromo-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 107905314

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 113237086) is N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is CCN(CC)C(=O)N1CCc2ccccc2CC1.
What is the InChIKey of N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is PYAFXRWJBDIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-16(4-2)15(18)17-11-9-13-7-5-6-8-14(13)10-12-17/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 113237086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).