1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea

C19H22N2O — CID 108903161

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea
SMILESCCc1ccc(C(C)NC(=O)N/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-3-16-9-11-18(12-10-16)15(2)21-19(22)20-14-13-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H2,20,21,22)/b14-13+
InChIKeyRRUSZBDDGDUZNR-BUHFOSPRSA-N
MW294.40 g/mol
LogP4.28
Rot. Bonds5

About 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea

1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903161) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea
PubChem CID108903161
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea
SMILESCCc1ccc(C(C)NC(=O)N/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-3-16-9-11-18(12-10-16)15(2)21-19(22)20-14-13-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H2,20,21,22)/b14-13+
InChIKeyRRUSZBDDGDUZNR-BUHFOSPRSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Benzyl-3-cyclohexylurea
CID 544877
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea (CID 108903161) is 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea is CCc1ccc(C(C)NC(=O)N/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea?
The InChIKey is RRUSZBDDGDUZNR-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-16-9-11-18(12-10-16)15(2)21-19(22)20-14-13-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H2,20,21,22)/b14-13+.
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea?
1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea has a molecular weight of 294.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).