1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea

C22H25N3O — CID 24768230

IUPAC1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea
SMILESCCN(CCNC(=O)Nc1cccc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-3-25(19-11-6-8-17(2)16-19)15-14-23-22(26)24-21-13-7-10-18-9-4-5-12-20(18)21/h4-13,16H,3,14-15H2,1-2H3,(H2,23,24,26)
InChIKeyWNWYPZITBPAWSB-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.80
Rot. Bonds6

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

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea (PubChem CID 24768230) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea
PubChem CID24768230
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea
SMILESCCN(CCNC(=O)Nc1cccc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C22H25N3O/c1-3-25(19-11-6-8-17(2)16-19)15-14-23-22(26)24-21-13-7-10-18-9-4-5-12-20(18)21/h4-13,16H,3,14-15H2,1-2H3,(H2,23,24,26)
InChIKeyWNWYPZITBPAWSB-UHFFFAOYSA-N
XLogP4.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.80
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-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea (CID 24768230) is 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea is CCN(CCNC(=O)Nc1cccc2ccccc12)c1cccc(C)c1.
What is the InChIKey of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is WNWYPZITBPAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-25(19-11-6-8-17(2)16-19)15-14-23-22(26)24-21-13-7-10-18-9-4-5-12-20(18)21/h4-13,16H,3,14-15H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea?
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 347.46 g/mol, XLogP of 4.80, 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-naphthalen-1-ylurea is sourced from PubChem (CID 24768230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).