3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide

C13H17N3O2 — CID 103313171

IUPAC3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
SMILESNC(=O)CCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C13H17N3O2/c14-12(17)7-8-15-11-6-5-9-3-1-2-4-10(9)16-13(11)18/h1-4,11,15H,5-8H2,(H2,14,17)(H,16,18)
InChIKeyZRLJWTWLVKTQOJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.40
Rot. Bonds4

About 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide

3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide (PubChem CID 103313171) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
PubChem CID103313171
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
SMILESNC(=O)CCNC1CCc2ccccc2NC1=O
InChIInChI=1S/C13H17N3O2/c14-12(17)7-8-15-11-6-5-9-3-1-2-4-10(9)16-13(11)18/h1-4,11,15H,5-8H2,(H2,14,17)(H,16,18)
InChIKeyZRLJWTWLVKTQOJ-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
2-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313209
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500
3-(2-methylprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313566
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313115
3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313451
3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313099
3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-2-phenylacetamide
CID 139617273

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The IUPAC name of 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide (CID 103313171) is 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide.
What is the SMILES notation for 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The canonical SMILES for 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide is NC(=O)CCNC1CCc2ccccc2NC1=O.
What is the InChIKey of 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
The InChIKey is ZRLJWTWLVKTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-12(17)7-8-15-11-6-5-9-3-1-2-4-10(9)16-13(11)18/h1-4,11,15H,5-8H2,(H2,14,17)(H,16,18).
What are the key properties of 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide?
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide is sourced from PubChem (CID 103313171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).