1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea

C14H20N2O3 — CID 82737312

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
SMILESCC(O)c1cccc(NC(=O)NC2CCOC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9(17)11-4-3-5-12(8-11)15-14(18)16-13-6-7-19-10(13)2/h3-5,8-10,13,17H,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyAZTZOKHECBJBGT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea

1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea (PubChem CID 82737312) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
PubChem CID82737312
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
SMILESCC(O)c1cccc(NC(=O)NC2CCOC2C)c1
InChIInChI=1S/C14H20N2O3/c1-9(17)11-4-3-5-12(8-11)15-14(18)16-13-6-7-19-10(13)2/h3-5,8-10,13,17H,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyAZTZOKHECBJBGT-UHFFFAOYSA-N
XLogP2.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
CID 63361993
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
CID 82736980
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415055
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106217887

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea (CID 82737312) is 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea is CC(O)c1cccc(NC(=O)NC2CCOC2C)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea?
The InChIKey is AZTZOKHECBJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(17)11-4-3-5-12(8-11)15-14(18)16-13-6-7-19-10(13)2/h3-5,8-10,13,17H,6-7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 82737312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).