1-methyl-3-[2-(4-propylphenoxy)ethyl]urea

C13H20N2O2 — CID 70468541

IUPAC1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
SMILESCCCc1ccc(OCCNC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-4-11-5-7-12(8-6-11)17-10-9-15-13(16)14-2/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyUEUQWOMAAHTGNQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.95
Rot. Bonds6

About 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea

1-methyl-3-[2-(4-propylphenoxy)ethyl]urea (PubChem CID 70468541) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
PubChem CID70468541
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
SMILESCCCc1ccc(OCCNC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-4-11-5-7-12(8-6-11)17-10-9-15-13(16)14-2/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyUEUQWOMAAHTGNQ-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
1-[2-[2-(4-butylphenoxy)ethoxy]ethyl]-3-[4-[2-[2-(4-butylphenoxy)ethoxy]ethylcarbamoylamino]butyl]urea
CID 121385186
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
(6S)-4-acetyl-6-hydroxy-N-[2-(4-propylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 125439285
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133244583
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 40563834

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea (CID 70468541) is 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea is CCCc1ccc(OCCNC(=O)NC)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea?
The InChIKey is UEUQWOMAAHTGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-11-5-7-12(8-6-11)17-10-9-15-13(16)14-2/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea?
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea has a molecular weight of 236.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-propylphenoxy)ethyl]urea is sourced from PubChem (CID 70468541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).