4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide

C14H20N2O2 — CID 62522600

IUPAC4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2(CO)CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-13(18)12-5-3-11(4-6-12)9-16-14(10-17)7-1-2-8-14/h3-6,16-17H,1-2,7-10H2,(H2,15,18)
InChIKeyNPVCTYCLVXGCCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds5

About 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide

4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide (PubChem CID 62522600) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
PubChem CID62522600
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2(CO)CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-13(18)12-5-3-11(4-6-12)9-16-14(10-17)7-1-2-8-14/h3-6,16-17H,1-2,7-10H2,(H2,15,18)
InChIKeyNPVCTYCLVXGCCH-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
CID 115523953
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
2-[1-(benzylamino)cyclobutyl]acetamide
CID 131134694
N'-hydroxy-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzenecarboximidamide
CID 77028030
(4-carbamoylphenyl)methylcarbamic acid
CID 91190690
4-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 107452835
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
N-benzyl-2-[[1-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 55082631
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide (CID 62522600) is 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide is NC(=O)c1ccc(CNC2(CO)CCCC2)cc1.
What is the InChIKey of 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide?
The InChIKey is NPVCTYCLVXGCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(18)12-5-3-11(4-6-12)9-16-14(10-17)7-1-2-8-14/h3-6,16-17H,1-2,7-10H2,(H2,15,18).
What are the key properties of 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide?
4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide is sourced from PubChem (CID 62522600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).