N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C19H28N2O2 — CID 108784488

IUPACN-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-13-20-19(23)16-11-12-17-15(14-16)9-8-10-18(22)21-17/h11-12,14H,2-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyIFVKAWISSKXWIM-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.05
Rot. Bonds8

About N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784488) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784488
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-13-20-19(23)16-11-12-17-15(14-16)9-8-10-18(22)21-17/h11-12,14H,2-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyIFVKAWISSKXWIM-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784514
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784511
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577
4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 32684583
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784488) is N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is CCCCCCCCNC(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is IFVKAWISSKXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-4-5-6-7-13-20-19(23)16-11-12-17-15(14-16)9-8-10-18(22)21-17/h11-12,14H,2-10,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).