1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

C17H21N3O2 — CID 108901077

IUPAC1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cc(C)ccc2N)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-7-15(18)16(10-12)20-17(21)19-9-8-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9,18H2,1-2H3,(H2,19,20,21)
InChIKeyIBVSLPHKPUNBRF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108901077) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108901077
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cc(C)ccc2N)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-7-15(18)16(10-12)20-17(21)19-9-8-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9,18H2,1-2H3,(H2,19,20,21)
InChIKeyIBVSLPHKPUNBRF-UHFFFAOYSA-N
XLogP2.95
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]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-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108901077) is 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2cc(C)ccc2N)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is IBVSLPHKPUNBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-7-15(18)16(10-12)20-17(21)19-9-8-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108901077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).