N'-(3-acetylphenyl)-N-cyclopentylpropanediamide

C16H20N2O3 — CID 108942255

IUPACN'-(3-acetylphenyl)-N-cyclopentylpropanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N2O3/c1-11(19)12-5-4-8-14(9-12)18-16(21)10-15(20)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMXZJVDFKUBXLKI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds5

About N'-(3-acetylphenyl)-N-cyclopentylpropanediamide

N'-(3-acetylphenyl)-N-cyclopentylpropanediamide (PubChem CID 108942255) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-cyclopentylpropanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-cyclopentylpropanediamide
PubChem CID108942255
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN'-(3-acetylphenyl)-N-cyclopentylpropanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H20N2O3/c1-11(19)12-5-4-8-14(9-12)18-16(21)10-15(20)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyMXZJVDFKUBXLKI-UHFFFAOYSA-N
XLogP2.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-(3-acetylphenyl)propanamide
CID 903063
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-cyclopentylpropanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-cyclopentylpropanediamide (CID 108942255) is N'-(3-acetylphenyl)-N-cyclopentylpropanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-cyclopentylpropanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-cyclopentylpropanediamide is CC(=O)c1cccc(NC(=O)CC(=O)NC2CCCC2)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-cyclopentylpropanediamide?
The InChIKey is MXZJVDFKUBXLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(19)12-5-4-8-14(9-12)18-16(21)10-15(20)17-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-acetylphenyl)-N-cyclopentylpropanediamide?
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide has a molecular weight of 288.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-cyclopentylpropanediamide is sourced from PubChem (CID 108942255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).