1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea

C19H22N2O2 — CID 45153652

IUPAC1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23)
InChIKeyQMHGVMAWGPWAAS-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.39
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea

1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea (PubChem CID 45153652) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
PubChem CID45153652
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)c2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23)
InChIKeyQMHGVMAWGPWAAS-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675250
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7201553

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea (CID 45153652) is 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea is CC(=O)c1cccc(NC(=O)NC(C)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea?
The InChIKey is QMHGVMAWGPWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-8-9-18(13(2)10-12)14(3)20-19(23)21-17-7-5-6-16(11-17)15(4)22/h5-11,14H,1-4H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea?
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea has a molecular weight of 310.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 45153652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).