1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea

C18H23N3O — CID 24768227

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea
SMILESCCN(CCNC(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-11-7-8-15(2)14-17)13-12-19-18(22)20-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyKRKSRSSOBPAKDW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds6

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

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea (PubChem CID 24768227) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea
PubChem CID24768227
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea
SMILESCCN(CCNC(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-11-7-8-15(2)14-17)13-12-19-18(22)20-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyKRKSRSSOBPAKDW-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
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-phenylurea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea (CID 24768227) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea is CCN(CCNC(=O)Nc1ccccc1)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea?
The InChIKey is KRKSRSSOBPAKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(17-11-7-8-15(2)14-17)13-12-19-18(22)20-16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-phenylurea has a molecular weight of 297.40 g/mol, XLogP of 3.64, 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-phenylurea is sourced from PubChem (CID 24768227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).