1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea

C14H20N2O3 — CID 62520319

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-4-5-11(9-12)15-13(18)16-14(10-17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H2,15,16,18)
InChIKeyLLIRACKIOWNVJT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds4

About 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea

1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea (PubChem CID 62520319) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
PubChem CID62520319
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-12-6-4-5-11(9-12)15-13(18)16-14(10-17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H2,15,16,18)
InChIKeyLLIRACKIOWNVJT-UHFFFAOYSA-N
XLogP2.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111926256
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 3222705
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
CID 72860999

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea (CID 62520319) is 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
The InChIKey is LLIRACKIOWNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-12-6-4-5-11(9-12)15-13(18)16-14(10-17)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10H2,1H3,(H2,15,16,18).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 62520319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).