4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide

C14H19N3O2 — CID 119318721

IUPAC4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-8-2-5-13(18)16-11-6-7-12-10(9-11)3-1-4-14(19)17-12/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19)
InChIKeyNNGZBOQUOUYTJT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds4

About 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide

4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide (PubChem CID 119318721) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
PubChem CID119318721
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C14H19N3O2/c15-8-2-5-13(18)16-11-6-7-12-10(9-11)3-1-4-14(19)17-12/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19)
InChIKeyNNGZBOQUOUYTJT-UHFFFAOYSA-N
XLogP1.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
CID 119788407
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoylamino]butanoic acid
CID 122079384
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708965

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide?
The IUPAC name of 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide (CID 119318721) is 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide.
What is the SMILES notation for 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide?
The canonical SMILES for 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide is NCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide?
The InChIKey is NNGZBOQUOUYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-8-2-5-13(18)16-11-6-7-12-10(9-11)3-1-4-14(19)17-12/h6-7,9H,1-5,8,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide?
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide is sourced from PubChem (CID 119318721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).