1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea

C24H24N2O2 — CID 108874633

IUPAC1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
SMILESCc1ccc(C(=O)CCNC(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)23(27)16-17-25-24(28)26(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,25,28)
InChIKeyQTSQQWNWVJOFGX-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.98
Rot. Bonds7

About 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea

1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea (PubChem CID 108874633) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
PubChem CID108874633
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
SMILESCc1ccc(C(=O)CCNC(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)23(27)16-17-25-24(28)26(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,25,28)
InChIKeyQTSQQWNWVJOFGX-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea (CID 108874633) is 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea is Cc1ccc(C(=O)CCNC(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea?
The InChIKey is QTSQQWNWVJOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19-12-14-21(15-13-19)23(27)16-17-25-24(28)26(22-10-6-3-7-11-22)18-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea?
1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea has a molecular weight of 372.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea is sourced from PubChem (CID 108874633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).