N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C16H23N3O2 — CID 108784514

IUPACN-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-16(21)13-7-8-14-12(11-13)5-3-6-15(20)18-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPHYNQKJGSJDYRI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.64
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784514) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784514
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-16(21)13-7-8-14-12(11-13)5-3-6-15(20)18-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPHYNQKJGSJDYRI-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
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
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489069
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784514) is N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is CN(C)CCCNC(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is PHYNQKJGSJDYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)10-4-9-17-16(21)13-7-8-14-12(11-13)5-3-6-15(20)18-14/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).