1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea

C24H27N3O2 — CID 42706243

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-6-5-7-20(16-18)25-24(28)27(22-12-14-23(29-4)15-13-22)17-19-8-10-21(11-9-19)26(2)3/h5-16H,17H2,1-4H3,(H,25,28)
InChIKeyQDULBJVCZARNBK-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.31
Rot. Bonds6

About 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea

1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea (PubChem CID 42706243) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea
PubChem CID42706243
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea
SMILESCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-6-5-7-20(16-18)25-24(28)27(22-12-14-23(29-4)15-13-22)17-19-8-10-21(11-9-19)26(2)3/h5-16H,17H2,1-4H3,(H,25,28)
InChIKeyQDULBJVCZARNBK-UHFFFAOYSA-N
XLogP5.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
1-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-phenylurea
CID 129012475
1-[(4-chlorophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868392
3-(4-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(4-fluorophenyl)urea
CID 42706350
1-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(3-methylphenyl)thiourea
CID 8600195
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(4-methoxyphenyl)acetamide
CID 78837535

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea (CID 42706243) is 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea is COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea?
The InChIKey is QDULBJVCZARNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-6-5-7-20(16-18)25-24(28)27(22-12-14-23(29-4)15-13-22)17-19-8-10-21(11-9-19)26(2)3/h5-16H,17H2,1-4H3,(H,25,28).
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea?
1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea has a molecular weight of 389.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-1-(4-methoxyphenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 42706243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).