1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea

C19H24N2O2 — CID 108879503

IUPAC1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-5-16-7-10-18(11-8-16)23-13-20-19(22)21-17-9-6-14(2)15(3)12-17/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22)
InChIKeyYEGKGSYCQQXQPI-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.41
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879503) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879503
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-5-16-7-10-18(11-8-16)23-13-20-19(22)21-17-9-6-14(2)15(3)12-17/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22)
InChIKeyYEGKGSYCQQXQPI-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.41
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-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
2-[4-[(3,4-dimethylphenoxy)methylcarbamoylamino]phenyl]acetic acid
CID 108879120
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea (CID 108879503) is 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is YEGKGSYCQQXQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-5-16-7-10-18(11-8-16)23-13-20-19(22)21-17-9-6-14(2)15(3)12-17/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea?
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).