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

C19H24N2O2 — CID 108879664

IUPAC1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-5-16-8-10-18(11-9-16)23-14-21-19(22)20-13-17-7-4-6-15(2)12-17/h4,6-12H,3,5,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyCRCJSBVBNUQYLK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds7

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

1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879664) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879664
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-5-16-8-10-18(11-9-16)23-14-21-19(22)20-13-17-7-4-6-15(2)12-17/h4,6-12H,3,5,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyCRCJSBVBNUQYLK-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.78
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-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-methylphenoxy)methyl]urea
CID 108892925
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
CID 108894571
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea (CID 108879664) is 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is CRCJSBVBNUQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-5-16-8-10-18(11-9-16)23-14-21-19(22)20-13-17-7-4-6-15(2)12-17/h4,6-12H,3,5,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea?
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).