1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

C15H20N2O3 — CID 3246785

IUPAC1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-10(14-7-4-8-20-14)16-15(19)17-13-6-3-5-12(9-13)11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyLCVYOUBPEWAPMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea

1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 3246785) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID3246785
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-10(14-7-4-8-20-14)16-15(19)17-13-6-3-5-12(9-13)11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,16,17,19)
InChIKeyLCVYOUBPEWAPMP-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61193817
1-(3-nitrophenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 51983154
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95571029
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-(3-bromo-4-methoxyphenyl)-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 96530944
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-pyridin-2-ylurea
CID 94120386
2-chloro-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
3-fluoro-4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63190371
1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
1-(3-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675898

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea (CID 3246785) is 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is CC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is LCVYOUBPEWAPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(14-7-4-8-20-14)16-15(19)17-13-6-3-5-12(9-13)11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea?
1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 3246785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).