N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide

C17H24N2O2 — CID 108942305

IUPACN-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)NC1CCCC1)c1cccc(C)c1
InChIInChI=1S/C17H24N2O2/c1-3-19(15-10-6-7-13(2)11-15)17(21)12-16(20)18-14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyAFVXBOFQDAWURX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide

N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108942305) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108942305
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)NC1CCCC1)c1cccc(C)c1
InChIInChI=1S/C17H24N2O2/c1-3-19(15-10-6-7-13(2)11-15)17(21)12-16(20)18-14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyAFVXBOFQDAWURX-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-(cyclopentylcarbamoyl)-N-(3-methylphenyl)acetamide
CID 86239895
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-ethyl-3-(2-ethylpiperidin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108952293
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide (CID 108942305) is N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)CC(=O)NC1CCCC1)c1cccc(C)c1.
What is the InChIKey of N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is AFVXBOFQDAWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-19(15-10-6-7-13(2)11-15)17(21)12-16(20)18-14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 288.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108942305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).