1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea

C14H20N2O3 — CID 63361993

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
SMILESCC(O)c1cccc(NC(=O)NC2CCCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)11-4-2-5-12(8-11)15-14(18)16-13-6-3-7-19-9-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H2,15,16,18)
InChIKeyULEDGXBJNVYVLT-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds3

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

1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea (PubChem CID 63361993) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
PubChem CID63361993
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
SMILESCC(O)c1cccc(NC(=O)NC2CCCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)11-4-2-5-12(8-11)15-14(18)16-13-6-3-7-19-9-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H2,15,16,18)
InChIKeyULEDGXBJNVYVLT-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-(2-methyloxolan-3-yl)urea
CID 82737312
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-(oxolan-3-yl)-3-[3-[(propan-2-ylamino)methyl]phenyl]urea
CID 106911627
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
N-methyl-2-[3-(oxolan-3-ylcarbamoylamino)phenyl]acetamide
CID 118762708
2,3-dimethyl-5-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361645
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
1-[3-(1-aminoethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732162

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea (CID 63361993) is 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea is CC(O)c1cccc(NC(=O)NC2CCCOC2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea?
The InChIKey is ULEDGXBJNVYVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)11-4-2-5-12(8-11)15-14(18)16-13-6-3-7-19-9-13/h2,4-5,8,10,13,17H,3,6-7,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-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-(oxan-3-yl)urea is sourced from PubChem (CID 63361993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).