3-(4-ethylphenyl)-1-methyl-1-propylurea

C13H20N2O — CID 142207393

IUPAC3-(4-ethylphenyl)-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C13H20N2O/c1-4-10-15(3)13(16)14-12-8-6-11(5-2)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyPOXCCCIKICFQQP-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.12
Rot. Bonds4

About 3-(4-ethylphenyl)-1-methyl-1-propylurea

3-(4-ethylphenyl)-1-methyl-1-propylurea (PubChem CID 142207393) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-methyl-1-propylurea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-methyl-1-propylurea
PubChem CID142207393
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(4-ethylphenyl)-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C13H20N2O/c1-4-10-15(3)13(16)14-12-8-6-11(5-2)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,16)
InChIKeyPOXCCCIKICFQQP-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108894808
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-propylurea?
The IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-propylurea (CID 142207393) is 3-(4-ethylphenyl)-1-methyl-1-propylurea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-methyl-1-propylurea?
The canonical SMILES for 3-(4-ethylphenyl)-1-methyl-1-propylurea is CCCN(C)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-methyl-1-propylurea?
The InChIKey is POXCCCIKICFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-10-15(3)13(16)14-12-8-6-11(5-2)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,14,16).
What are the key properties of 3-(4-ethylphenyl)-1-methyl-1-propylurea?
3-(4-ethylphenyl)-1-methyl-1-propylurea has a molecular weight of 220.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-methyl-1-propylurea is sourced from PubChem (CID 142207393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).