1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea

C16H26N2O3 — CID 86999004

IUPAC1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
SMILESCCCOCc1ccccc1CNC(=O)NCCCOC
InChIInChI=1S/C16H26N2O3/c1-3-10-21-13-15-8-5-4-7-14(15)12-18-16(19)17-9-6-11-20-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,17,18,19)
InChIKeyXZWOZOVJQALFDG-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.45
Rot. Bonds10

About 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea

1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea (PubChem CID 86999004) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
PubChem CID86999004
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
SMILESCCCOCc1ccccc1CNC(=O)NCCCOC
InChIInChI=1S/C16H26N2O3/c1-3-10-21-13-15-8-5-4-7-14(15)12-18-16(19)17-9-6-11-20-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,17,18,19)
InChIKeyXZWOZOVJQALFDG-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 111438310
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
CID 33389163
1-(3-butoxypropyl)-2-methyl-3-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111240376
1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 78891487
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111650344
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
1-(3-ethoxypropyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897476
1-[2-(ethoxymethyl)phenyl]-3-(5-methoxypentyl)urea
CID 86871424
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea (CID 86999004) is 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea is CCCOCc1ccccc1CNC(=O)NCCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea?
The InChIKey is XZWOZOVJQALFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-10-21-13-15-8-5-4-7-14(15)12-18-16(19)17-9-6-11-20-2/h4-5,7-8H,3,6,9-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea?
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 86999004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).