N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide

C18H25N3O3 — CID 108958674

IUPACN-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(22)19-14-8-10-15(11-9-14)21-17(24)18(2,3)16(23)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyHKOYKVDMPKMYNY-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.67
Rot. Bonds5

About N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide

N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide (PubChem CID 108958674) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
PubChem CID108958674
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(22)19-14-8-10-15(11-9-14)21-17(24)18(2,3)16(23)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyHKOYKVDMPKMYNY-UHFFFAOYSA-N
XLogP2.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
N-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
4-acetamido-N-cyclooctylbenzamide
CID 2990044

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide (CID 108958674) is N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide is CC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide?
The InChIKey is HKOYKVDMPKMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(22)19-14-8-10-15(11-9-14)21-17(24)18(2,3)16(23)20-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide?
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide has a molecular weight of 331.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).