1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea

C27H26N2O2 — CID 42709329

IUPAC1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(Cc2ccco2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-2-21-15-17-24(18-16-21)28-27(30)29(20-25-14-9-19-31-25)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,26H,2,20H2,1H3,(H,28,30)
InChIKeyODLYGJIBEYDWMJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP6.67
Rot. Bonds7

About 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea

1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea (PubChem CID 42709329) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
PubChem CID42709329
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea
SMILESCCc1ccc(NC(=O)N(Cc2ccco2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N2O2/c1-2-21-15-17-24(18-16-21)28-27(30)29(20-25-14-9-19-31-25)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,26H,2,20H2,1H3,(H,28,30)
InChIKeyODLYGJIBEYDWMJ-UHFFFAOYSA-N
XLogP6.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 4523827
1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)-3-phenylurea
CID 3244728
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
3-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-(1-thiophen-2-ylethyl)urea
CID 5195902
4-[[[furan-2-ylmethyl(propan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122019561
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
ethyl 4-[[[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 42773525
3-(2H-benzotriazol-5-yl)-1-(furan-2-ylmethyl)-1-[(2S)-1-hydroxybutan-2-yl]urea
CID 125155612
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
2-[[(2R)-butan-2-yl]-(phenylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7225456
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea (CID 42709329) is 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea is CCc1ccc(NC(=O)N(Cc2ccco2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea?
The InChIKey is ODLYGJIBEYDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-2-21-15-17-24(18-16-21)28-27(30)29(20-25-14-9-19-31-25)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,26H,2,20H2,1H3,(H,28,30).
What are the key properties of 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea?
1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea has a molecular weight of 410.52 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-ethylphenyl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 42709329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).