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

C20H24N2O — CID 69224185

IUPACN-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(21-15-8-11-17-9-2-1-3-10-17)22-16-7-6-13-18-12-4-5-14-19(18)22/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,21,23)
InChIKeyLOGFFMROZDAYCU-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.17
Rot. Bonds4

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

N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69224185) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69224185
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCCc2ccccc21
InChIInChI=1S/C20H24N2O/c23-20(21-15-8-11-17-9-2-1-3-10-17)22-16-7-6-13-18-12-4-5-14-19(18)22/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,21,23)
InChIKeyLOGFFMROZDAYCU-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 60550929
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089033
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69224185) is N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCCCc2ccccc21.
What is the InChIKey of N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is LOGFFMROZDAYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(21-15-8-11-17-9-2-1-3-10-17)22-16-7-6-13-18-12-4-5-14-19(18)22/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,21,23).
What are the key properties of N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69224185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).