N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C23H30N2O3 — CID 44556371

IUPACN,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCCN(CC)C(=O)N1CCc2cc(OC)c(OC)cc2C(c2ccccc2)C1
InChIInChI=1S/C23H30N2O3/c1-5-24(6-2)23(26)25-13-12-18-14-21(27-3)22(28-4)15-19(18)20(16-25)17-10-8-7-9-11-17/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3
InChIKeyHARPIEKUOQHPOS-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.16
Rot. Bonds5

About N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 44556371) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
PubChem CID44556371
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
SMILESCCN(CC)C(=O)N1CCc2cc(OC)c(OC)cc2C(c2ccccc2)C1
InChIInChI=1S/C23H30N2O3/c1-5-24(6-2)23(26)25-13-12-18-14-21(27-3)22(28-4)15-19(18)20(16-25)17-10-8-7-9-11-17/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3
InChIKeyHARPIEKUOQHPOS-UHFFFAOYSA-N
XLogP4.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-but-2-enedioate;7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 20838253
8-bromo-7-methoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12928531
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
N-[(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzamide
CID 42825556
6,7-dimethoxy-1-phenyl-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599232
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one
CID 92760085
7-methoxy-3-pentyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-8-sulfonyl chloride
CID 88670462
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylbutan-1-one
CID 24685631
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-3-oxopropanamide
CID 108947316
but-2-enedioic acid;3-ethyl-7,8-dimethoxy-5-phenoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 67930193

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The IUPAC name of N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 44556371) is N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The canonical SMILES for N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is CCN(CC)C(=O)N1CCc2cc(OC)c(OC)cc2C(c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
The InChIKey is HARPIEKUOQHPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-24(6-2)23(26)25-13-12-18-14-21(27-3)22(28-4)15-19(18)20(16-25)17-10-8-7-9-11-17/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3.
What are the key properties of N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?
N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 44556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).