3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea

C15H24N2O3 — CID 86850576

IUPAC3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
SMILESCCOc1ccccc1CNC(=O)N(C)CCCOC
InChIInChI=1S/C15H24N2O3/c1-4-20-14-9-6-5-8-13(14)12-16-15(18)17(2)10-7-11-19-3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18)
InChIKeySJNLWMAJKPWULR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.26
Rot. Bonds8

About 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea

3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea (PubChem CID 86850576) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
PubChem CID86850576
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
SMILESCCOc1ccccc1CNC(=O)N(C)CCCOC
InChIInChI=1S/C15H24N2O3/c1-4-20-14-9-6-5-8-13(14)12-16-15(18)17(2)10-7-11-19-3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18)
InChIKeySJNLWMAJKPWULR-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethoxyphenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111651229
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914
1-butyl-3-[(2-ethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111158025
3-[methyl-[(2-prop-2-enoxyphenyl)methylcarbamoyl]amino]propanoic acid
CID 122001720
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
3-[(2-ethoxy-4-methylphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122006121
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea (CID 86850576) is 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea is CCOc1ccccc1CNC(=O)N(C)CCCOC.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea?
The InChIKey is SJNLWMAJKPWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-20-14-9-6-5-8-13(14)12-16-15(18)17(2)10-7-11-19-3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18).
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea?
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 86850576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).