1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea

C19H25N3O — CID 3822405

IUPAC1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
SMILESCc1ccc(C)c(NC(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-15-10-11-16(2)18(14-15)21-19(23)20-12-7-13-22(3)17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyWDYWOBGYZCVDFL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea

1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea (PubChem CID 3822405) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
PubChem CID3822405
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
SMILESCc1ccc(C)c(NC(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C19H25N3O/c1-15-10-11-16(2)18(14-15)21-19(23)20-12-7-13-22(3)17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13H2,1-3H3,(H2,20,21,23)
InChIKeyWDYWOBGYZCVDFL-UHFFFAOYSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-fluorophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543085
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
1-[3-(N-methylanilino)propyl]-3-(2,4,5-trimethylphenyl)thiourea
CID 5197733
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132670025
2-[3-(dimethylamino)propylcarbamoylamino]-5-methylbenzoic acid
CID 61189901
1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea (CID 3822405) is 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea is Cc1ccc(C)c(NC(=O)NCCCN(C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea?
The InChIKey is WDYWOBGYZCVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-10-11-16(2)18(14-15)21-19(23)20-12-7-13-22(3)17-8-5-4-6-9-17/h4-6,8-11,14H,7,12-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea?
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea has a molecular weight of 311.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea is sourced from PubChem (CID 3822405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).