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

C14H21N3O — CID 55165611

IUPAC2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
SMILESNC(=O)C(N)CCN1CCCc2ccccc2C1
InChIInChI=1S/C14H21N3O/c15-13(14(16)18)7-9-17-8-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,15H2,(H2,16,18)
InChIKeyXJZDAEPPFFPWIY-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.64
Rot. Bonds4

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

2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide (PubChem CID 55165611) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
PubChem CID55165611
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
SMILESNC(=O)C(N)CCN1CCCc2ccccc2C1
InChIInChI=1S/C14H21N3O/c15-13(14(16)18)7-9-17-8-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,15H2,(H2,16,18)
InChIKeyXJZDAEPPFFPWIY-UHFFFAOYSA-N
XLogP0.64
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 142349412
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920
2-amino-2-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanamide
CID 63152637
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide?
The IUPAC name of 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide (CID 55165611) is 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide.
What is the SMILES notation for 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide?
The canonical SMILES for 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide is NC(=O)C(N)CCN1CCCc2ccccc2C1.
What is the InChIKey of 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide?
The InChIKey is XJZDAEPPFFPWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13(14(16)18)7-9-17-8-3-6-11-4-1-2-5-12(11)10-17/h1-2,4-5,13H,3,6-10,15H2,(H2,16,18).
What are the key properties of 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide?
2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide is sourced from PubChem (CID 55165611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).