1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea

C19H25N3O — CID 4996665

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea
SMILESCCN(CCNC(=O)Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C19H25N3O/c1-4-22(17-10-7-8-15(2)14-17)13-12-20-19(23)21-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyUHDKZIYYICUWDK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds6

About 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea (PubChem CID 4996665) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea
PubChem CID4996665
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea
SMILESCCN(CCNC(=O)Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C19H25N3O/c1-4-22(17-10-7-8-15(2)14-17)13-12-20-19(23)21-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyUHDKZIYYICUWDK-UHFFFAOYSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea (CID 4996665) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea is CCN(CCNC(=O)Nc1ccccc1C)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is UHDKZIYYICUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(17-10-7-8-15(2)14-17)13-12-20-19(23)21-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 311.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 4996665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).