1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea

C20H27N3O2 — CID 108868243

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)17-9-12-19(15(3)13-17)22-20(24)21-14-16-7-10-18(25-4)11-8-16/h7-13H,5-6,14H2,1-4H3,(H2,21,22,24)
InChIKeyJRDAMBJOZDGXRV-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.17
Rot. Bonds7

About 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea

1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868243) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868243
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C20H27N3O2/c1-5-23(6-2)17-9-12-19(15(3)13-17)22-20(24)21-14-16-7-10-18(25-4)11-8-16/h7-13H,5-6,14H2,1-4H3,(H2,21,22,24)
InChIKeyJRDAMBJOZDGXRV-UHFFFAOYSA-N
XLogP4.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]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-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 71894836
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108898002
1-[4-(diethylamino)-2-methylphenyl]-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970527
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 108868243) is 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea is CCN(CC)c1ccc(NC(=O)NCc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is JRDAMBJOZDGXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-23(6-2)17-9-12-19(15(3)13-17)22-20(24)21-14-16-7-10-18(25-4)11-8-16/h7-13H,5-6,14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 341.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).