1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea

C24H26N2O — CID 108891110

IUPAC1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-20-12-14-21(15-13-20)16-17-25-24(27)26(18-22-8-4-2-5-9-22)19-23-10-6-3-7-11-23/h2-15H,16-19H2,1H3,(H,25,27)
InChIKeyIENKYXMFZACMSP-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.95
Rot. Bonds7

About 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea

1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891110) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891110
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-20-12-14-21(15-13-20)16-17-25-24(27)26(18-22-8-4-2-5-9-22)19-23-10-6-3-7-11-23/h2-15H,16-19H2,1H3,(H,25,27)
InChIKeyIENKYXMFZACMSP-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1,1,3-tris(2-phenylethyl)urea
CID 123287811
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-methyl-1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8770481
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122021626
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea (CID 108891110) is 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is IENKYXMFZACMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-20-12-14-21(15-13-20)16-17-25-24(27)26(18-22-8-4-2-5-9-22)19-23-10-6-3-7-11-23/h2-15H,16-19H2,1H3,(H,25,27).
What are the key properties of 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea?
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 358.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).