7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C18H20N2O2 — CID 23032395

IUPAC7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1ccc2c(c1)CCCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-11-17-14(13-16)7-5-6-12-20(17)18(21)19-15-8-3-2-4-9-15/h2-4,8-11,13H,5-7,12H2,1H3,(H,19,21)
InChIKeyLTQYMIGXFOICOL-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.07
Rot. Bonds2

About 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 23032395) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID23032395
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1ccc2c(c1)CCCCN2C(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-11-17-14(13-16)7-5-6-12-20(17)18(21)19-15-8-3-2-4-9-15/h2-4,8-11,13H,5-7,12H2,1H3,(H,19,21)
InChIKeyLTQYMIGXFOICOL-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 10214790
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 51111336
3-fluoro-4-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 120550731
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 23032395) is 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is COc1ccc2c(c1)CCCCN2C(=O)Nc1ccccc1.
What is the InChIKey of 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is LTQYMIGXFOICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-10-11-17-14(13-16)7-5-6-12-20(17)18(21)19-15-8-3-2-4-9-15/h2-4,8-11,13H,5-7,12H2,1H3,(H,19,21).
What are the key properties of 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 23032395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).