1-(2-acetylphenyl)-3-propan-2-ylurea

C12H16N2O2 — CID 28738066

IUPAC1-(2-acetylphenyl)-3-propan-2-ylurea
SMILESCC(=O)c1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)13-12(16)14-11-7-5-4-6-10(11)9(3)15/h4-8H,1-3H3,(H2,13,14,16)
InChIKeyGNYPLPHJMXFZTL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.42
Rot. Bonds3

About 1-(2-acetylphenyl)-3-propan-2-ylurea

1-(2-acetylphenyl)-3-propan-2-ylurea (PubChem CID 28738066) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-acetylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-acetylphenyl)-3-propan-2-ylurea
PubChem CID28738066
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-acetylphenyl)-3-propan-2-ylurea
SMILESCC(=O)c1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C12H16N2O2/c1-8(2)13-12(16)14-11-7-5-4-6-10(11)9(3)15/h4-8H,1-3H3,(H2,13,14,16)
InChIKeyGNYPLPHJMXFZTL-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
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1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8996942
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
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(3,3-dimethyl-2-oxobutyl) 2-(propan-2-ylcarbamoylamino)benzoate
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2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-acetylphenyl)-3-propan-2-ylurea (CID 28738066) is 1-(2-acetylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-acetylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-acetylphenyl)-3-propan-2-ylurea is CC(=O)c1ccccc1NC(=O)NC(C)C.
What is the InChIKey of 1-(2-acetylphenyl)-3-propan-2-ylurea?
The InChIKey is GNYPLPHJMXFZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)13-12(16)14-11-7-5-4-6-10(11)9(3)15/h4-8H,1-3H3,(H2,13,14,16).
What are the key properties of 1-(2-acetylphenyl)-3-propan-2-ylurea?
1-(2-acetylphenyl)-3-propan-2-ylurea has a molecular weight of 220.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 28738066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).