3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea

C14H20N2O2 — CID 47364374

IUPAC3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyVBCIKOPYFHQYDQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.01
Rot. Bonds4

About 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea

3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea (PubChem CID 47364374) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
PubChem CID47364374
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyVBCIKOPYFHQYDQ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(2-methylpropyl)urea
CID 61342222
3-(3-acetylphenyl)-1-(2-bromoethyl)-1-methylurea
CID 106441584
3-(3-acetylphenyl)-1-methyl-1-pentylurea
CID 61347402
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]-1-methylurea
CID 52511984
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-(3-acetylphenyl)-1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-methylurea
CID 95974569
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea (CID 47364374) is 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea is CC(=O)c1cccc(NC(=O)N(C)CC(C)C)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea?
The InChIKey is VBCIKOPYFHQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-16(4)14(18)15-13-7-5-6-12(8-13)11(3)17/h5-8,10H,9H2,1-4H3,(H,15,18).
What are the key properties of 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea?
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 47364374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).