1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea

C18H23N3O2 — CID 108879647

IUPAC1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-3-4-14-6-8-15(9-7-14)23-12-20-18(22)21-17-10-5-13(2)11-16(17)19/h5-11H,3-4,12,19H2,1-2H3,(H2,20,21,22)
InChIKeyOKTGYWQJJGIMGO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.69
Rot. Bonds6

About 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea

1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879647) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879647
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C18H23N3O2/c1-3-4-14-6-8-15(9-7-14)23-12-20-18(22)21-17-10-5-13(2)11-16(17)19/h5-11H,3-4,12,19H2,1-2H3,(H2,20,21,22)
InChIKeyOKTGYWQJJGIMGO-UHFFFAOYSA-N
XLogP3.69
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-(2-amino-4-methylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878155
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
butyl 2-[(4-propylphenoxy)methylcarbamoylamino]benzoate
CID 108879441
1-(4-chloro-2-methylphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892964
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea (CID 108879647) is 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2ccc(C)cc2N)cc1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is OKTGYWQJJGIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-14-6-8-15(9-7-14)23-12-20-18(22)21-17-10-5-13(2)11-16(17)19/h5-11H,3-4,12,19H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea?
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).