4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide

C30H34N4O4 — CID 169262506

IUPAC4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)N(C)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C)C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C30H34N4O4/c1-21(35)33(3)20-18-24-5-13-27(14-6-24)32-30(38)26-11-9-25(10-12-26)29(37)31-19-17-23-7-15-28(16-8-23)34(4)22(2)36/h5-16H,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyKGFRNXAGLORAIG-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.91
Rot. Bonds10

About 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide

4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide (PubChem CID 169262506) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide
PubChem CID169262506
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)N(C)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C)C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C30H34N4O4/c1-21(35)33(3)20-18-24-5-13-27(14-6-24)32-30(38)26-11-9-25(10-12-26)29(37)31-19-17-23-7-15-28(16-8-23)34(4)22(2)36/h5-16H,17-20H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyKGFRNXAGLORAIG-UHFFFAOYSA-N
XLogP3.91
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 169262558
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
CID 86857816
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 115161110
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide (CID 169262506) is 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide is CC(=O)N(C)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C)C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is KGFRNXAGLORAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-21(35)33(3)20-18-24-5-13-27(14-6-24)32-30(38)26-11-9-25(10-12-26)29(37)31-19-17-23-7-15-28(16-8-23)34(4)22(2)36/h5-16H,17-20H2,1-4H3,(H,31,37)(H,32,38).
What are the key properties of 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide?
4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 514.63 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 169262506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).