4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide

C24H26N4O2 — CID 170362896

IUPAC4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESNCCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O2/c25-15-13-17-3-11-22(12-4-17)28-24(30)20-7-5-19(6-8-20)23(29)27-16-14-18-1-9-21(26)10-2-18/h1-12H,13-16,25-26H2,(H,27,29)(H,28,30)
InChIKeyRDSUJMQVJMTNKE-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.99
Rot. Bonds8

About 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide

4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 170362896) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID170362896
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESNCCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C24H26N4O2/c25-15-13-17-3-11-22(12-4-17)28-24(30)20-7-5-19(6-8-20)23(29)27-16-14-18-1-9-21(26)10-2-18/h1-12H,13-16,25-26H2,(H,27,29)(H,28,30)
InChIKeyRDSUJMQVJMTNKE-UHFFFAOYSA-N
XLogP2.99
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide (CID 170362896) is 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide is NCCc1ccc(NC(=O)c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is RDSUJMQVJMTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-15-13-17-3-11-22(12-4-17)28-24(30)20-7-5-19(6-8-20)23(29)27-16-14-18-1-9-21(26)10-2-18/h1-12H,13-16,25-26H2,(H,27,29)(H,28,30).
What are the key properties of 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 170362896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).