1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea

C14H22N2O2 — CID 108891008

IUPAC1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOCCCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-12-4-6-13(7-5-12)8-10-16-14(17)15-9-3-11-18-2/h4-7H,3,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyDJPBIAJHSQPMAI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds7

About 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea

1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891008) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891008
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCOCCCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-12-4-6-13(7-5-12)8-10-16-14(17)15-9-3-11-18-2/h4-7H,3,8-11H2,1-2H3,(H2,15,16,17)
InChIKeyDJPBIAJHSQPMAI-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
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

1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
CID 47440630
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891118
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea (CID 108891008) is 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea is COCCCNC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is DJPBIAJHSQPMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-4-6-13(7-5-12)8-10-16-14(17)15-9-3-11-18-2/h4-7H,3,8-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea?
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).