1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea

C18H20N4O2 — CID 36517218

IUPAC1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-11-19-17(23)20-14-7-9-15(10-8-14)21-18(24)22-16-6-4-5-13(2)12-16/h3-10,12H,1,11H2,2H3,(H2,19,20,23)(H2,21,22,24)
InChIKeyLTHQPWHFPVDKFM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.95
Rot. Bonds5

About 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea

1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea (PubChem CID 36517218) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
PubChem CID36517218
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-11-19-17(23)20-14-7-9-15(10-8-14)21-18(24)22-16-6-4-5-13(2)12-16/h3-10,12H,1,11H2,2H3,(H2,19,20,23)(H2,21,22,24)
InChIKeyLTHQPWHFPVDKFM-UHFFFAOYSA-N
XLogP3.95
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-prop-2-enylthiourea
CID 3492074
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(3-bromo-5-methylphenyl)-3-prop-2-enylurea
CID 84527152
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea (CID 36517218) is 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea is C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea?
The InChIKey is LTHQPWHFPVDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-11-19-17(23)20-14-7-9-15(10-8-14)21-18(24)22-16-6-4-5-13(2)12-16/h3-10,12H,1,11H2,2H3,(H2,19,20,23)(H2,21,22,24).
What are the key properties of 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea?
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 36517218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).