4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide

C28H30N4O4 — CID 147434643

IUPAC4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCCC(=O)Cc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NC)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-3-25(33)16-19-4-6-20(7-5-19)17-30-26(34)22-10-12-23(13-11-22)27(35)31-18-21-8-14-24(15-9-21)32-28(36)29-2/h4-15H,3,16-18H2,1-2H3,(H,30,34)(H,31,35)(H2,29,32,36)
InChIKeyDVAAAQFMKVCJPC-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.82
Rot. Bonds10

About 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide

4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide (PubChem CID 147434643) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide
PubChem CID147434643
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide
SMILESCCC(=O)Cc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NC)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-3-25(33)16-19-4-6-20(7-5-19)17-30-26(34)22-10-12-23(13-11-22)27(35)31-18-21-8-14-24(15-9-21)32-28(36)29-2/h4-15H,3,16-18H2,1-2H3,(H,30,34)(H,31,35)(H2,29,32,36)
InChIKeyDVAAAQFMKVCJPC-UHFFFAOYSA-N
XLogP3.82
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide 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-(4-ethylphenyl)-3-methylurea
CID 54250791
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide (CID 147434643) is 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide is CCC(=O)Cc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(NC(=O)NC)cc3)cc2)cc1.
What is the InChIKey of 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide?
The InChIKey is DVAAAQFMKVCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-3-25(33)16-19-4-6-20(7-5-19)17-30-26(34)22-10-12-23(13-11-22)27(35)31-18-21-8-14-24(15-9-21)32-28(36)29-2/h4-15H,3,16-18H2,1-2H3,(H,30,34)(H,31,35)(H2,29,32,36).
What are the key properties of 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide?
4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.82, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(methylcarbamoylamino)phenyl]methyl]-1-N-[[4-(2-oxobutyl)phenyl]methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 147434643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).