3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide

C21H25NO2 — CID 2446291

IUPAC3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-16-5-4-8-20(15-16)24-19-12-10-18(11-13-19)22-21(23)14-9-17-6-2-3-7-17/h4-5,8,10-13,15,17H,2-3,6-7,9,14H2,1H3,(H,22,23)
InChIKeyDLDQUZNGQCNGDT-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.70
Rot. Bonds6

About 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide

3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide (PubChem CID 2446291) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
PubChem CID2446291
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
SMILESCc1cccc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-16-5-4-8-20(15-16)24-19-12-10-18(11-13-19)22-21(23)14-9-17-6-2-3-7-17/h4-5,8,10-13,15,17H,2-3,6-7,9,14H2,1H3,(H,22,23)
InChIKeyDLDQUZNGQCNGDT-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626
3-cyclohexyl-N-[(4-phenoxyphenyl)carbamothioyl]propanamide
CID 4934258
3-cyclohexyl-N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]propanamide
CID 17342290
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
3-cyclopentyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]propanamide
CID 42725939
3-cyclopentyl-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
CID 122310132
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide (CID 2446291) is 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide is Cc1cccc(Oc2ccc(NC(=O)CCC3CCCC3)cc2)c1.
What is the InChIKey of 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide?
The InChIKey is DLDQUZNGQCNGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-5-4-8-20(15-16)24-19-12-10-18(11-13-19)22-21(23)14-9-17-6-2-3-7-17/h4-5,8,10-13,15,17H,2-3,6-7,9,14H2,1H3,(H,22,23).
What are the key properties of 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide?
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 2446291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).