3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea

C16H24N2O3 — CID 61433968

IUPAC3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
SMILESCC(O)c1ccc(NC(=O)N(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-8-14(9-7-13)17-16(20)18(2)11-15-5-3-4-10-21-15/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyPURCVMQOFNTHLJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds4

About 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea (PubChem CID 61433968) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
PubChem CID61433968
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
SMILESCC(O)c1ccc(NC(=O)N(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-8-14(9-7-13)17-16(20)18(2)11-15-5-3-4-10-21-15/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyPURCVMQOFNTHLJ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
1-methyl-1-[[(2S)-oxan-2-yl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 124572395
1-methyl-1-(oxan-2-ylmethyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 118786796
N-tert-butyl-4-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]benzamide
CID 94818819
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 95597644
3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 100856435
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
1-methyl-1-(oxan-2-ylmethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 72849905
2-methylpropyl N-[3-[[methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95259052

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea (CID 61433968) is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The canonical SMILES for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea is CC(O)c1ccc(NC(=O)N(C)CC2CCCCO2)cc1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
The InChIKey is PURCVMQOFNTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)13-6-8-14(9-7-13)17-16(20)18(2)11-15-5-3-4-10-21-15/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea?
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea is sourced from PubChem (CID 61433968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).