3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea

C17H26N2O2 — CID 110013379

IUPAC3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H26N2O2/c1-19(11-12-20)16(21)18-14-17(9-5-6-10-17)13-15-7-3-2-4-8-15/h2-4,7-8,20H,5-6,9-14H2,1H3,(H,18,21)
InChIKeyBDFHCFSTSMOBPP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds6

About 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea

3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 110013379) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID110013379
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C17H26N2O2/c1-19(11-12-20)16(21)18-14-17(9-5-6-10-17)13-15-7-3-2-4-8-15/h2-4,7-8,20H,5-6,9-14H2,1H3,(H,18,21)
InChIKeyBDFHCFSTSMOBPP-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
CID 122563898
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
1-[(1-benzylcyclobutyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 97223869
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
2-[(1-benzylcyclopentyl)methylcarbamoylamino]-N-methylacetamide
CID 75499278
3-amino-N-[(1-benzylcyclobutyl)methyl]-2-methylbutanamide;hydrochloride
CID 120502353
N-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-phenylacetamide
CID 142097923
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea (CID 110013379) is 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is BDFHCFSTSMOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(11-12-20)16(21)18-14-17(9-5-6-10-17)13-15-7-3-2-4-8-15/h2-4,7-8,20H,5-6,9-14H2,1H3,(H,18,21).
What are the key properties of 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 290.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylcyclopentyl)methyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 110013379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).