ethane;1-methyl-3-(4-methylphenyl)-1-propylurea

C14H24N2O — CID 142207328

IUPACethane;1-methyl-3-(4-methylphenyl)-1-propylurea
SMILESCC.CCCN(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O.C2H6/c1-4-9-14(3)12(15)13-11-7-5-10(2)6-8-11;1-2/h5-8H,4,9H2,1-3H3,(H,13,15);1-2H3
InChIKeyJFNHPJLIIGDIDY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.89
Rot. Bonds3

About ethane;1-methyl-3-(4-methylphenyl)-1-propylurea

ethane;1-methyl-3-(4-methylphenyl)-1-propylurea (PubChem CID 142207328) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;1-methyl-3-(4-methylphenyl)-1-propylurea.

Molecular Properties

Compound Nameethane;1-methyl-3-(4-methylphenyl)-1-propylurea
PubChem CID142207328
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;1-methyl-3-(4-methylphenyl)-1-propylurea
SMILESCC.CCCN(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H18N2O.C2H6/c1-4-9-14(3)12(15)13-11-7-5-10(2)6-8-11;1-2/h5-8H,4,9H2,1-3H3,(H,13,15);1-2H3
InChIKeyJFNHPJLIIGDIDY-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393
1-(3-amino-3-sulfanylidenepropyl)-1-methyl-3-(4-methylphenyl)urea
CID 43437771
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108894808
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441619
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
1-[ethyl(methyl)amino]-3-(4-methylphenyl)urea
CID 90799043
1-butyl-3-[4-(methanesulfonamido)phenyl]-1-methylurea
CID 108875324
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N-(4-methylphenyl)pentanamide
CID 3662375
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(4-methylphenyl)-1-propylurea?
The IUPAC name of ethane;1-methyl-3-(4-methylphenyl)-1-propylurea (CID 142207328) is ethane;1-methyl-3-(4-methylphenyl)-1-propylurea.
What is the SMILES notation for ethane;1-methyl-3-(4-methylphenyl)-1-propylurea?
The canonical SMILES for ethane;1-methyl-3-(4-methylphenyl)-1-propylurea is CC.CCCN(C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethane;1-methyl-3-(4-methylphenyl)-1-propylurea?
The InChIKey is JFNHPJLIIGDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-4-9-14(3)12(15)13-11-7-5-10(2)6-8-11;1-2/h5-8H,4,9H2,1-3H3,(H,13,15);1-2H3.
What are the key properties of ethane;1-methyl-3-(4-methylphenyl)-1-propylurea?
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea has a molecular weight of 236.36 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(4-methylphenyl)-1-propylurea is sourced from PubChem (CID 142207328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).