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

C13H18N4O2 — CID 162271441

IUPAC1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea
SMILESC=CNC(=O)Nc1ccc(C)cc1NC(=O)NCC
InChIInChI=1S/C13H18N4O2/c1-4-14-12(18)16-10-7-6-9(3)8-11(10)17-13(19)15-5-2/h4,6-8H,1,5H2,2-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyXIINOHGBQFXRNC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.40
Rot. Bonds4

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

1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea (PubChem CID 162271441) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea.

Molecular Properties

Compound Name1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea
PubChem CID162271441
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea
SMILESC=CNC(=O)Nc1ccc(C)cc1NC(=O)NCC
InChIInChI=1S/C13H18N4O2/c1-4-14-12(18)16-10-7-6-9(3)8-11(10)17-13(19)15-5-2/h4,6-8H,1,5H2,2-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKeyXIINOHGBQFXRNC-UHFFFAOYSA-N
XLogP2.40
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
1-ethyl-3-(2-ethynyl-4-methylphenyl)urea
CID 125480487
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
CID 4120076
[(2-hydroxy-5-methylphenyl)carbamoylamino]methyl prop-2-enoate
CID 54471177
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
CID 82507372

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea?
The IUPAC name of 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea (CID 162271441) is 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea.
What is the SMILES notation for 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea?
The canonical SMILES for 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea is C=CNC(=O)Nc1ccc(C)cc1NC(=O)NCC.
What is the InChIKey of 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea?
The InChIKey is XIINOHGBQFXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-14-12(18)16-10-7-6-9(3)8-11(10)17-13(19)15-5-2/h4,6-8H,1,5H2,2-3H3,(H2,14,16,18)(H2,15,17,19).
What are the key properties of 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea?
1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea has a molecular weight of 262.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[2-(ethylcarbamoylamino)-4-methylphenyl]urea is sourced from PubChem (CID 162271441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).