1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea

C18H20N4O2 — CID 3038294

IUPAC1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13-3-7-15(8-4-13)21-17(23)19-11-12-20-18(24)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b12-11+
InChIKeyUBMZNZSLEQNUQS-VAWYXSNFSA-N
MW324.38 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea

1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea (PubChem CID 3038294) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea
PubChem CID3038294
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13-3-7-15(8-4-13)21-17(23)19-11-12-20-18(24)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b12-11+
InChIKeyUBMZNZSLEQNUQS-VAWYXSNFSA-N
XLogP3.72
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

Siduron
CID 16116
Isoproturon
CID 36679
Desmethylfluometuron
CID 98771
Daimuron
CID 39238
3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
CID 87146
Atglistatin
CID 71699712
N-(4-Methylphenyl)urea
CID 12148
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Ethyl-1,3-diphenylurea
CID 98685
Monodesmethylisoproturon
CID 182167
N-Cyclohexyl-N'-phenylurea
CID 13451

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea (CID 3038294) is 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea is Cc1ccc(NC(=O)N/C=C/NC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea?
The InChIKey is UBMZNZSLEQNUQS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-3-7-15(8-4-13)21-17(23)19-11-12-20-18(24)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b12-11+.
What are the key properties of 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea?
1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea is sourced from PubChem (CID 3038294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).