1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

C22H31N3O — CID 3741166

IUPAC1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCN(CC)c1cccc(C)c1
InChIInChI=1S/C22H31N3O/c1-5-18-11-9-12-19(6-2)21(18)24-22(26)23-14-15-25(7-3)20-13-8-10-17(4)16-20/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26)
InChIKeyCCRYZIBCEMOTSI-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.77
Rot. Bonds8

About 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 3741166) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID3741166
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCN(CC)c1cccc(C)c1
InChIInChI=1S/C22H31N3O/c1-5-18-11-9-12-19(6-2)21(18)24-22(26)23-14-15-25(7-3)20-13-8-10-17(4)16-20/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26)
InChIKeyCCRYZIBCEMOTSI-UHFFFAOYSA-N
XLogP4.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3498030
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3339643
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618394
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
1-(2-bromophenyl)-3-[2-(3-methyl-N-propylanilino)ethyl]urea
CID 67514117
(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 3741166) is 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCc1cccc(CC)c1NC(=O)NCCN(CC)c1cccc(C)c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is CCRYZIBCEMOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-18-11-9-12-19(6-2)21(18)24-22(26)23-14-15-25(7-3)20-13-8-10-17(4)16-20/h8-13,16H,5-7,14-15H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 353.51 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 3741166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).