N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide

C17H25NO3 — CID 62517205

IUPACN-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)21-11-14-5-7-15(8-6-14)16(20)18-17(12-19)9-3-4-10-17/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyTUQKLXCAOPYLST-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide

N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide (PubChem CID 62517205) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
PubChem CID62517205
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1ccc(C(=O)NC2(CO)CCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)21-11-14-5-7-15(8-6-14)16(20)18-17(12-19)9-3-4-10-17/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyTUQKLXCAOPYLST-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
4-ethylsulfanyl-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 110008816
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
N-cyclopentyloxy-4-(propan-2-yloxymethyl)benzamide
CID 83201776
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
3-ethoxy-2,2-dimethyl-1-[[4-(propan-2-yloxymethyl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120699423
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide (CID 62517205) is N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide is CC(C)OCc1ccc(C(=O)NC2(CO)CCCC2)cc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is TUQKLXCAOPYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)21-11-14-5-7-15(8-6-14)16(20)18-17(12-19)9-3-4-10-17/h5-8,13,19H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide?
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 62517205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).