1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea

C18H23N3O2 — CID 51290296

IUPAC1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
SMILESCOc1cccc(NC(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(16-9-4-3-5-10-16)13-7-12-19-18(22)20-15-8-6-11-17(14-15)23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyXGGJIFKQYRTFKA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea

1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea (PubChem CID 51290296) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
PubChem CID51290296
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
SMILESCOc1cccc(NC(=O)NCCCN(C)c2ccccc2)c1
InChIInChI=1S/C18H23N3O2/c1-21(16-9-4-3-5-10-16)13-7-12-19-18(22)20-15-8-6-11-17(14-15)23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyXGGJIFKQYRTFKA-UHFFFAOYSA-N
XLogP3.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-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-[3-(N-methylanilino)propyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60548052
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-[3-(N-methylanilino)propyl]urea
CID 52665262
N-[3-[(3-methoxyphenyl)carbamoylamino]propylamino]formamide
CID 67747096
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
N,N-diethyl-4-[3-(N-methylanilino)propylcarbamoylamino]benzamide
CID 52594655

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea (CID 51290296) is 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea is COc1cccc(NC(=O)NCCCN(C)c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea?
The InChIKey is XGGJIFKQYRTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(16-9-4-3-5-10-16)13-7-12-19-18(22)20-15-8-6-11-17(14-15)23-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea?
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea is sourced from PubChem (CID 51290296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).