N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide

C23H31N3O3 — CID 54829112

IUPACN-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C23H31N3O3/c1-3-4-5-6-7-14-29-22-13-9-10-19(16-22)24-17-23(28)26-21-12-8-11-20(15-21)25-18(2)27/h8-13,15-16,24H,3-7,14,17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHUPJIUHUTYBPEQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.04
Rot. Bonds12

About N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide (PubChem CID 54829112) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
PubChem CID54829112
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C23H31N3O3/c1-3-4-5-6-7-14-29-22-13-9-10-19(16-22)24-17-23(28)26-21-12-8-11-20(15-21)25-18(2)27/h8-13,15-16,24H,3-7,14,17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHUPJIUHUTYBPEQ-UHFFFAOYSA-N
XLogP5.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide (CID 54829112) is N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide?
The InChIKey is HUPJIUHUTYBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-4-5-6-7-14-29-22-13-9-10-19(16-22)24-17-23(28)26-21-12-8-11-20(15-21)25-18(2)27/h8-13,15-16,24H,3-7,14,17H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide has a molecular weight of 397.52 g/mol, XLogP of 5.04, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).