1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea

C19H24N2O2 — CID 112825014

IUPAC1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-7-16-10-12-17(13-11-16)20-19(22)21(2)14-15-23-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,20,22)
InChIKeyIBHPIUYMNRJNEP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.18
Rot. Bonds7

About 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea

1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea (PubChem CID 112825014) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
PubChem CID112825014
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
SMILESCCCc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-7-16-10-12-17(13-11-16)20-19(22)21(2)14-15-23-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,20,22)
InChIKeyIBHPIUYMNRJNEP-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
1-methyl-1-(2-phenoxyethyl)-3-(3-sulfamoylphenyl)urea
CID 38147908
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 112825805
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
CID 72854209
3-(4-fluorophenoxy)-N-(4-propylphenyl)propanamide
CID 112816800
2-[4-[[methyl(pentyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772899
1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea?
The IUPAC name of 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea (CID 112825014) is 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea?
The canonical SMILES for 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea is CCCc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1.
What is the InChIKey of 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea?
The InChIKey is IBHPIUYMNRJNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-7-16-10-12-17(13-11-16)20-19(22)21(2)14-15-23-18-8-5-4-6-9-18/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea?
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea is sourced from PubChem (CID 112825014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).