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

C30H30N4O6 — CID 169262558

IUPAC4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)N(CC=O)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C=O)C=O)cc3)cc2)cc1
InChIInChI=1S/C30H30N4O6/c1-22(38)33(18-19-35)17-15-24-2-10-27(11-3-24)32-30(40)26-8-6-25(7-9-26)29(39)31-16-14-23-4-12-28(13-5-23)34(20-36)21-37/h2-13,19-21H,14-18H2,1H3,(H,31,39)(H,32,40)
InChIKeyDPNHUFVZFGYPRZ-UHFFFAOYSA-N
MW542.59 g/mol
LogP2.62
Rot. Bonds14

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

4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide (PubChem CID 169262558) has the molecular formula C30H30N4O6 and a molecular weight of 542.59 g/mol. Its IUPAC name is 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide
PubChem CID169262558
Molecular FormulaC30H30N4O6
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC Name4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide
SMILESCC(=O)N(CC=O)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C=O)C=O)cc3)cc2)cc1
InChIInChI=1S/C30H30N4O6/c1-22(38)33(18-19-35)17-15-24-2-10-27(11-3-24)32-30(40)26-8-6-25(7-9-26)29(39)31-16-14-23-4-12-28(13-5-23)34(20-36)21-37/h2-13,19-21H,14-18H2,1H3,(H,31,39)(H,32,40)
InChIKeyDPNHUFVZFGYPRZ-UHFFFAOYSA-N
XLogP2.62
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-[2-[acetyl(methyl)amino]ethyl]phenyl]-1-N-[2-[4-[acetyl(methyl)amino]phenyl]ethyl]benzene-1,4-dicarboxamide
CID 169262506
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
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
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
N-(2-acetamidoethyl)-4-(4-phenylbutanoylamino)benzamide
CID 121062141
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide (CID 169262558) is 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide is CC(=O)N(CC=O)CCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N(C=O)C=O)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is DPNHUFVZFGYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6/c1-22(38)33(18-19-35)17-15-24-2-10-27(11-3-24)32-30(40)26-8-6-25(7-9-26)29(39)31-16-14-23-4-12-28(13-5-23)34(20-36)21-37/h2-13,19-21H,14-18H2,1H3,(H,31,39)(H,32,40).
What are the key properties of 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide?
4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 542.59 g/mol, XLogP of 2.62, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-[acetyl(2-oxoethyl)amino]ethyl]phenyl]-1-N-[2-[4-(diformylamino)phenyl]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 169262558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).