1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea

C14H22N2O — CID 115169449

IUPAC1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
SMILESCCCc1ccc(CCN(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-12-6-8-13(9-7-12)10-11-16(3)14(17)15-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyLBHSWCCSIYOTQP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.45
Rot. Bonds5

About 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea

1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea (PubChem CID 115169449) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
PubChem CID115169449
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea
SMILESCCCc1ccc(CCN(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-4-5-12-6-8-13(9-7-12)10-11-16(3)14(17)15-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17)
InChIKeyLBHSWCCSIYOTQP-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
CID 115169525
3-ethyl-1-methyl-1-[2-(4-nitrophenyl)ethyl]urea
CID 3802097
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
1-butyl-1-methyl-3-[(4-propylphenoxy)methyl]urea
CID 108879554
methyl-(4-propylphenyl)carbamic acid
CID 115170704
methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
3-amino-1-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 115193067
N-[2-(4-ethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176585
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea?
The IUPAC name of 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea (CID 115169449) is 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea is CCCc1ccc(CCN(C)C(=O)NC)cc1.
What is the InChIKey of 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea?
The InChIKey is LBHSWCCSIYOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-12-6-8-13(9-7-12)10-11-16(3)14(17)15-2/h6-9H,4-5,10-11H2,1-3H3,(H,15,17).
What are the key properties of 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea?
1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea has a molecular weight of 234.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[2-(4-propylphenyl)ethyl]urea is sourced from PubChem (CID 115169449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).