1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea

C14H18N2O3 — CID 82736980

IUPAC1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCOC2C)cc1
InChIInChI=1S/C14H18N2O3/c1-9(17)11-3-5-12(6-4-11)15-14(18)16-13-7-8-19-10(13)2/h3-6,10,13H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyGPJHQEWZPDSDNT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea

1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea (PubChem CID 82736980) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
PubChem CID82736980
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCOC2C)cc1
InChIInChI=1S/C14H18N2O3/c1-9(17)11-3-5-12(6-4-11)15-14(18)16-13-7-8-19-10(13)2/h3-6,10,13H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyGPJHQEWZPDSDNT-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyloxolan-3-yl)-3-(4-pyrazol-1-ylphenyl)urea
CID 84595112
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
[(3R,3aR,6R,6aR)-3-[(4-acetylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 163167399
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
4,5-difluoro-2-[(2-methyloxolan-3-yl)carbamoylamino]benzoic acid
CID 82728062
[(3S,3aR,6R,6aS)-3-[(4-methoxyphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate
CID 11884163
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea (CID 82736980) is 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea is CC(=O)c1ccc(NC(=O)NC2CCOC2C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea?
The InChIKey is GPJHQEWZPDSDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)11-3-5-12(6-4-11)15-14(18)16-13-7-8-19-10(13)2/h3-6,10,13H,7-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea?
1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea has a molecular weight of 262.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea is sourced from PubChem (CID 82736980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).