1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea

C24H35N3O4 — CID 108869898

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC
InChIInChI=1S/C24H35N3O4/c1-7-27(8-2)19-12-13-20(17(6)14-19)26-24(28)25-18-15-21(29-9-3)23(31-11-5)22(16-18)30-10-4/h12-16H,7-11H2,1-6H3,(H2,25,26,28)
InChIKeyAQJDGSNWBLFJPM-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.68
Rot. Bonds11

About 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea

1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869898) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869898
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC
InChIInChI=1S/C24H35N3O4/c1-7-27(8-2)19-12-13-20(17(6)14-19)26-24(28)25-18-15-21(29-9-3)23(31-11-5)22(16-18)30-10-4/h12-16H,7-11H2,1-6H3,(H2,25,26,28)
InChIKeyAQJDGSNWBLFJPM-UHFFFAOYSA-N
XLogP5.68
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-[4-(diethylamino)-2-methylphenyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880371

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea (CID 108869898) is 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is AQJDGSNWBLFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-7-27(8-2)19-12-13-20(17(6)14-19)26-24(28)25-18-15-21(29-9-3)23(31-11-5)22(16-18)30-10-4/h12-16H,7-11H2,1-6H3,(H2,25,26,28).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea?
1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 429.56 g/mol, XLogP of 5.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).