1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea

C16H24N2O3 — CID 111926256

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(21-2)13-6-5-7-14(10-13)17-15(20)18-16(11-19)8-3-4-9-16/h5-7,10,12,19H,3-4,8-9,11H2,1-2H3,(H2,17,18,20)
InChIKeySNNMJQLPIBOBJN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea

1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea (PubChem CID 111926256) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
PubChem CID111926256
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NC2(CO)CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-12(21-2)13-6-5-7-14(10-13)17-15(20)18-16(11-19)8-3-4-9-16/h5-7,10,12,19H,3-4,8-9,11H2,1-2H3,(H2,17,18,20)
InChIKeySNNMJQLPIBOBJN-UHFFFAOYSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 71914833
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[3-[(1R)-1-methoxyethyl]phenyl]urea
CID 124733086
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
CID 119314874
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
1-[1-(methoxymethyl)cyclopentyl]-3-(3-methylsulfanylphenyl)urea
CID 72860999
1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea (CID 111926256) is 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea is COC(C)c1cccc(NC(=O)NC2(CO)CCCC2)c1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The InChIKey is SNNMJQLPIBOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(21-2)13-6-5-7-14(10-13)17-15(20)18-16(11-19)8-3-4-9-16/h5-7,10,12,19H,3-4,8-9,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.82, 5 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-(1-methoxyethyl)phenyl]urea is sourced from PubChem (CID 111926256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).