1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide

C29H35N3O3 — CID 10277078

IUPAC1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide
SMILESCN1C(=O)C(NC(=O)C2(NC(=O)CCC3CCCC3)CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H35N3O3/c1-32-24-15-7-6-13-22(24)21-12-4-5-14-23(21)26(27(32)34)30-28(35)29(18-8-9-19-29)31-25(33)17-16-20-10-2-3-11-20/h4-7,12-15,20,26H,2-3,8-11,16-19H2,1H3,(H,30,35)(H,31,33)
InChIKeyJNHYSRKLLVKXCK-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.89
Rot. Bonds6

About 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide

1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide (PubChem CID 10277078) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide
PubChem CID10277078
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide
SMILESCN1C(=O)C(NC(=O)C2(NC(=O)CCC3CCCC3)CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H35N3O3/c1-32-24-15-7-6-13-22(24)21-12-4-5-14-23(21)26(27(32)34)30-28(35)29(18-8-9-19-29)31-25(33)17-16-20-10-2-3-11-20/h4-7,12-15,20,26H,2-3,8-11,16-19H2,1H3,(H,30,35)(H,31,33)
InChIKeyJNHYSRKLLVKXCK-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide (CID 10277078) is 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide is CN1C(=O)C(NC(=O)C2(NC(=O)CCC3CCCC3)CCCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide?
The InChIKey is JNHYSRKLLVKXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-32-24-15-7-6-13-22(24)21-12-4-5-14-23(21)26(27(32)34)30-28(35)29(18-8-9-19-29)31-25(33)17-16-20-10-2-3-11-20/h4-7,12-15,20,26H,2-3,8-11,16-19H2,1H3,(H,30,35)(H,31,33).
What are the key properties of 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide?
1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoylamino)-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10277078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).