N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C18H20N2O2 — CID 46338657

IUPACN-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-9-15(13-16)19-18(21)20-12-5-4-8-14-7-2-3-11-17(14)20/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,19,21)
InChIKeyDFKNYEDGNXUTFV-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.07
Rot. Bonds2

About N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 46338657) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID46338657
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-10-6-9-15(13-16)19-18(21)20-12-5-4-8-14-7-2-3-11-17(14)20/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,19,21)
InChIKeyDFKNYEDGNXUTFV-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

7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382930
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943944
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 46338657) is N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is COc1cccc(NC(=O)N2CCCCc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is DFKNYEDGNXUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-10-6-9-15(13-16)19-18(21)20-12-5-4-8-14-7-2-3-11-17(14)20/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(3-methoxyphenyl)-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 N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 46338657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).