1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea

C14H22N2O2 — CID 108988156

IUPAC1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCCOC)c1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(13-8-5-7-12(2)11-13)14(17)15-9-6-10-18-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17)
InChIKeySKRVKTSNCFFOHI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.57
Rot. Bonds6

About 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea

1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea (PubChem CID 108988156) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
PubChem CID108988156
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCCCOC)c1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(13-8-5-7-12(2)11-13)14(17)15-9-6-10-18-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17)
InChIKeySKRVKTSNCFFOHI-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108889606
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
2-amino-N-ethyl-5-methoxy-N-(3-methylphenyl)pentanamide
CID 81088935
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113160180
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea?
The IUPAC name of 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea (CID 108988156) is 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea?
The canonical SMILES for 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea is CCN(C(=O)NCCCOC)c1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea?
The InChIKey is SKRVKTSNCFFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(13-8-5-7-12(2)11-13)14(17)15-9-6-10-18-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17).
What are the key properties of 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea?
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea has a molecular weight of 250.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea is sourced from PubChem (CID 108988156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).