3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide

C18H26N2O2 — CID 113116404

IUPAC3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)C1CCCC1
InChIInChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)19-18(22)10-11-20(15(3)21)16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyULYZONXGMRIIPI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.42
Rot. Bonds5

About 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide

3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113116404) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID113116404
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)ccc1C)C1CCCC1
InChIInChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)19-18(22)10-11-20(15(3)21)16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyULYZONXGMRIIPI-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
ethyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122169
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide (CID 113116404) is 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)ccc1C)C1CCCC1.
What is the InChIKey of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is ULYZONXGMRIIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-8-9-14(2)17(12-13)19-18(22)10-11-20(15(3)21)16-6-4-5-7-16/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide?
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113116404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).