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

C15H23N3O — CID 114336132

IUPAC2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCCC(N)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-3-17-15(19)11(2)18-10-6-8-13(16)12-7-4-5-9-14(12)18/h4-5,7,9,11,13H,3,6,8,10,16H2,1-2H3,(H,17,19)
InChIKeyPTMZSLONNYOESH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds3

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

2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide (PubChem CID 114336132) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
PubChem CID114336132
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCCC(N)c2ccccc21
InChIInChI=1S/C15H23N3O/c1-3-17-15(19)11(2)18-10-6-8-13(16)12-7-4-5-9-14(12)18/h4-5,7,9,11,13H,3,6,8,10,16H2,1-2H3,(H,17,19)
InChIKeyPTMZSLONNYOESH-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide (CID 114336132) is 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)N1CCCC(N)c2ccccc21.
What is the InChIKey of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide?
The InChIKey is PTMZSLONNYOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-17-15(19)11(2)18-10-6-8-13(16)12-7-4-5-9-14(12)18/h4-5,7,9,11,13H,3,6,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide?
2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114336132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).