N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide

C17H25NO2 — CID 115362564

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C17H25NO2/c19-14-17(11-4-5-12-17)13-18-16(20)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,19H,4-6,9-14H2,(H,18,20)
InChIKeyLUPMBLAWFCLLFT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.68
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide (PubChem CID 115362564) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
PubChem CID115362564
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C17H25NO2/c19-14-17(11-4-5-12-17)13-18-16(20)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,19H,4-6,9-14H2,(H,18,20)
InChIKeyLUPMBLAWFCLLFT-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide (CID 115362564) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide?
The InChIKey is LUPMBLAWFCLLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-14-17(11-4-5-12-17)13-18-16(20)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,19H,4-6,9-14H2,(H,18,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide has a molecular weight of 275.39 g/mol, XLogP of 2.68, 7 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]-4-phenylbutanamide is sourced from PubChem (CID 115362564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).