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

C23H24N2O — CID 108867607

IUPAC1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O/c1-18-12-14-19(15-13-18)16-17-24-23(26)25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H2,24,25,26)
InChIKeyGCKBRKLVFHDCTJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.63
Rot. Bonds6

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

1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108867607) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108867607
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O/c1-18-12-14-19(15-13-18)16-17-24-23(26)25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H2,24,25,26)
InChIKeyGCKBRKLVFHDCTJ-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-benzhydryl-3-octadecylurea
CID 142646590

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea (CID 108867607) is 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is GCKBRKLVFHDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-18-12-14-19(15-13-18)16-17-24-23(26)25-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3,(H2,24,25,26).
What are the key properties of 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea?
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 344.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108867607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).