1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea

C14H20N2O3 — CID 62824753

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCC2CCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-4,7,10-11,17H,5-6,8-9H2,1H3,(H2,15,16,18)
InChIKeyXHRYIWOBDZJVBY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea

1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea (PubChem CID 62824753) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
PubChem CID62824753
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
SMILESCC(O)c1cccc(NC(=O)NCC2CCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-4,7,10-11,17H,5-6,8-9H2,1H3,(H2,15,16,18)
InChIKeyXHRYIWOBDZJVBY-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415055
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
CID 63361993
2-[3-(oxolan-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 62822807
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
2-methoxy-4-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 107209471
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
CID 118776151
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea (CID 62824753) is 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea is CC(O)c1cccc(NC(=O)NCC2CCOC2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea?
The InChIKey is XHRYIWOBDZJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(17)12-3-2-4-13(7-12)16-14(18)15-8-11-5-6-19-9-11/h2-4,7,10-11,17H,5-6,8-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea has a molecular weight of 264.32 g/mol, XLogP of 1.90, 4 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-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 62824753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).