1-(2,4-diethylphenyl)-3-propylurea

C14H22N2O — CID 23348909

IUPAC1-(2,4-diethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(CC)cc1CC
InChIInChI=1S/C14H22N2O/c1-4-9-15-14(17)16-13-8-7-11(5-2)10-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3,(H2,15,16,17)
InChIKeyKJDMDWRTSIUILP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.34
Rot. Bonds5

About 1-(2,4-diethylphenyl)-3-propylurea

1-(2,4-diethylphenyl)-3-propylurea (PubChem CID 23348909) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,4-diethylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,4-diethylphenyl)-3-propylurea
PubChem CID23348909
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,4-diethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(CC)cc1CC
InChIInChI=1S/C14H22N2O/c1-4-9-15-14(17)16-13-8-7-11(5-2)10-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3,(H2,15,16,17)
InChIKeyKJDMDWRTSIUILP-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3-propylurea
CID 112556111
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
5-iodo-2-(propylcarbamoylamino)benzoic acid
CID 63111324
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylphenyl)-3-propylurea?
The IUPAC name of 1-(2,4-diethylphenyl)-3-propylurea (CID 23348909) is 1-(2,4-diethylphenyl)-3-propylurea.
What is the SMILES notation for 1-(2,4-diethylphenyl)-3-propylurea?
The canonical SMILES for 1-(2,4-diethylphenyl)-3-propylurea is CCCNC(=O)Nc1ccc(CC)cc1CC.
What is the InChIKey of 1-(2,4-diethylphenyl)-3-propylurea?
The InChIKey is KJDMDWRTSIUILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-15-14(17)16-13-8-7-11(5-2)10-12(13)6-3/h7-8,10H,4-6,9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(2,4-diethylphenyl)-3-propylurea?
1-(2,4-diethylphenyl)-3-propylurea has a molecular weight of 234.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylphenyl)-3-propylurea is sourced from PubChem (CID 23348909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).