1-(3-acetylphenyl)-3-cyclopropylurea

C12H14N2O2 — CID 47032116

IUPAC1-(3-acetylphenyl)-3-cyclopropylurea
SMILESCC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O2/c1-8(15)9-3-2-4-11(7-9)14-12(16)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,13,14,16)
InChIKeyCQNHNXCOMPLCEV-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.17
Rot. Bonds3

About 1-(3-acetylphenyl)-3-cyclopropylurea

1-(3-acetylphenyl)-3-cyclopropylurea (PubChem CID 47032116) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-cyclopropylurea
PubChem CID47032116
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-acetylphenyl)-3-cyclopropylurea
SMILESCC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O2/c1-8(15)9-3-2-4-11(7-9)14-12(16)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,13,14,16)
InChIKeyCQNHNXCOMPLCEV-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
tert-butyl (3R)-3-[(3-acetylphenyl)carbamoylamino]pyrrolidine-1-carboxylate
CID 95318306
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
CID 55882970
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-acetylphenyl)-3-cyclopropylurea (CID 47032116) is 1-(3-acetylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-acetylphenyl)-3-cyclopropylurea is CC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-cyclopropylurea?
The InChIKey is CQNHNXCOMPLCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)9-3-2-4-11(7-9)14-12(16)13-10-5-6-10/h2-4,7,10H,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-acetylphenyl)-3-cyclopropylurea?
1-(3-acetylphenyl)-3-cyclopropylurea has a molecular weight of 218.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 47032116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).