2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide

C26H32N4O2 — CID 19424604

IUPAC2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide
SMILESCN1C(=O)C(NC(=O)C(N)Cc2ccccc2)N=C(C2CCCCCC2)c2ccccc21
InChIInChI=1S/C26H32N4O2/c1-30-22-16-10-9-15-20(22)23(19-13-7-2-3-8-14-19)28-24(26(30)32)29-25(31)21(27)17-18-11-5-4-6-12-18/h4-6,9-12,15-16,19,21,24H,2-3,7-8,13-14,17,27H2,1H3,(H,29,31)
InChIKeyYJUFUOVKZQUTJO-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.43
Rot. Bonds5

About 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide

2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide (PubChem CID 19424604) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide
PubChem CID19424604
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide
SMILESCN1C(=O)C(NC(=O)C(N)Cc2ccccc2)N=C(C2CCCCCC2)c2ccccc21
InChIInChI=1S/C26H32N4O2/c1-30-22-16-10-9-15-20(22)23(19-13-7-2-3-8-14-19)28-24(26(30)32)29-25(31)21(27)17-18-11-5-4-6-12-18/h4-6,9-12,15-16,19,21,24H,2-3,7-8,13-14,17,27H2,1H3,(H,29,31)
InChIKeyYJUFUOVKZQUTJO-UHFFFAOYSA-N
XLogP3.43
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide (CID 19424604) is 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide is CN1C(=O)C(NC(=O)C(N)Cc2ccccc2)N=C(C2CCCCCC2)c2ccccc21.
What is the InChIKey of 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide?
The InChIKey is YJUFUOVKZQUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-30-22-16-10-9-15-20(22)23(19-13-7-2-3-8-14-19)28-24(26(30)32)29-25(31)21(27)17-18-11-5-4-6-12-18/h4-6,9-12,15-16,19,21,24H,2-3,7-8,13-14,17,27H2,1H3,(H,29,31).
What are the key properties of 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide?
2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide has a molecular weight of 432.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 19424604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).