1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea

C13H18N2O4 — CID 103847569

IUPAC1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C13H18N2O4/c1-18-11-4-2-10(3-5-11)15-12(16)14-8-13(17)6-7-19-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16)
InChIKeyISOWIEKIKWPIPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.97
Rot. Bonds4

About 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea

1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 103847569) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID103847569
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C13H18N2O4/c1-18-11-4-2-10(3-5-11)15-12(16)14-8-13(17)6-7-19-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16)
InChIKeyISOWIEKIKWPIPW-UHFFFAOYSA-N
XLogP0.97
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904882
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea (CID 103847569) is 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCC2(O)CCOC2)cc1.
What is the InChIKey of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is ISOWIEKIKWPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-11-4-2-10(3-5-11)15-12(16)14-8-13(17)6-7-19-9-13/h2-5,17H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea?
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 266.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 103847569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).