N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide

C15H21NO2 — CID 110416748

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C15H21NO2/c17-12-15(8-4-5-9-15)11-16-14(18)10-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H,16,18)
InChIKeyDQKMNTDWMWBINJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.90
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide (PubChem CID 110416748) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
PubChem CID110416748
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1(CO)CCCC1
InChIInChI=1S/C15H21NO2/c17-12-15(8-4-5-9-15)11-16-14(18)10-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H,16,18)
InChIKeyDQKMNTDWMWBINJ-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313079
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-2-phenylacetamide
CID 70033577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide (CID 110416748) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1(CO)CCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide?
The InChIKey is DQKMNTDWMWBINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-12-15(8-4-5-9-15)11-16-14(18)10-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2,(H,16,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.90, 5 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]-2-phenylacetamide is sourced from PubChem (CID 110416748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).