1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea

C16H24N2O3 — CID 109397032

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)CC2CCCC2O)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-13(21-3)7-8-14(11)17-16(20)18(2)10-12-5-4-6-15(12)19/h7-9,12,15,19H,4-6,10H2,1-3H3,(H,17,20)
InChIKeyNRXIBBMUQCBRMP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea

1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea (PubChem CID 109397032) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
PubChem CID109397032
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)CC2CCCC2O)c(C)c1
InChIInChI=1S/C16H24N2O3/c1-11-9-13(21-3)7-8-14(11)17-16(20)18(2)10-12-5-4-6-15(12)19/h7-9,12,15,19H,4-6,10H2,1-3H3,(H,17,20)
InChIKeyNRXIBBMUQCBRMP-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
1-[(2-hydroxycyclohexyl)methyl]-3-[(3-methoxy-5-methylphenyl)methyl]-1-methylurea
CID 110012782
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
N-[(2-hydroxycyclopentyl)methyl]-1-(3-methoxy-4-methylphenyl)-N-methylcyclopropane-1-carboxamide
CID 109399825
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 109397914
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea (CID 109397032) is 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)CC2CCCC2O)c(C)c1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea?
The InChIKey is NRXIBBMUQCBRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-13(21-3)7-8-14(11)17-16(20)18(2)10-12-5-4-6-15(12)19/h7-9,12,15,19H,4-6,10H2,1-3H3,(H,17,20).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea?
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea has a molecular weight of 292.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 109397032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).