1-ethyl-1-methyl-3-(4-phenylphenyl)urea

C16H18N2O — CID 115603727

IUPAC1-ethyl-1-methyl-3-(4-phenylphenyl)urea
SMILESCCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-18(2)16(19)17-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyKNEIZDXRVRQLGQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.84
Rot. Bonds3

About 1-ethyl-1-methyl-3-(4-phenylphenyl)urea

1-ethyl-1-methyl-3-(4-phenylphenyl)urea (PubChem CID 115603727) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(4-phenylphenyl)urea
PubChem CID115603727
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-ethyl-1-methyl-3-(4-phenylphenyl)urea
SMILESCCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-3-18(2)16(19)17-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyKNEIZDXRVRQLGQ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
2-[4-[[ethyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80554758
N-(4-phenylphenyl)acetamide
CID 19998
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(4-phenylphenyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(4-phenylphenyl)urea (CID 115603727) is 1-ethyl-1-methyl-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(4-phenylphenyl)urea is CCN(C)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-ethyl-1-methyl-3-(4-phenylphenyl)urea?
The InChIKey is KNEIZDXRVRQLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-18(2)16(19)17-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19).
What are the key properties of 1-ethyl-1-methyl-3-(4-phenylphenyl)urea?
1-ethyl-1-methyl-3-(4-phenylphenyl)urea has a molecular weight of 254.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(4-phenylphenyl)urea is sourced from PubChem (CID 115603727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).