N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide

C17H25NO2 — CID 115362508

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-14-5-4-6-15(11-14)7-8-16(20)18-12-17(13-19)9-2-3-10-17/h4-6,11,19H,2-3,7-10,12-13H2,1H3,(H,18,20)
InChIKeyGOTFBLATNARUKN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide (PubChem CID 115362508) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
PubChem CID115362508
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-14-5-4-6-15(11-14)7-8-16(20)18-12-17(13-19)9-2-3-10-17/h4-6,11,19H,2-3,7-10,12-13H2,1H3,(H,18,20)
InChIKeyGOTFBLATNARUKN-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[(4-hydroxythian-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 111484634
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-[1-[[3-(3-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341623
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide (CID 115362508) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCC2(CO)CCCC2)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide?
The InChIKey is GOTFBLATNARUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-5-4-6-15(11-14)7-8-16(20)18-12-17(13-19)9-2-3-10-17/h4-6,11,19H,2-3,7-10,12-13H2,1H3,(H,18,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 115362508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).