1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea

C18H22N2O2 — CID 108879448

IUPAC1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-5-15-8-10-17(11-9-15)22-13-19-18(21)20-16-7-4-6-14(2)12-16/h4,6-12H,3,5,13H2,1-2H3,(H2,19,20,21)
InChIKeyAEABRJMSWGAGHM-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.11
Rot. Bonds6

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

1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879448) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879448
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-5-15-8-10-17(11-9-15)22-13-19-18(21)20-16-7-4-6-14(2)12-16/h4,6-12H,3,5,13H2,1-2H3,(H2,19,20,21)
InChIKeyAEABRJMSWGAGHM-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890825
1-(4-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870572
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea (CID 108879448) is 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is AEABRJMSWGAGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-5-15-8-10-17(11-9-15)22-13-19-18(21)20-16-7-4-6-14(2)12-16/h4,6-12H,3,5,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).