N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

C24H34N2O4 — CID 54829489

IUPACN-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCOC)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-3-4-5-6-7-15-29-22-13-11-20(12-14-22)26-24(27)19-25-21-9-8-10-23(18-21)30-17-16-28-2/h8-14,18,25H,3-7,15-17,19H2,1-2H3,(H,26,27)
InChIKeyAFACWIGAAHBBSJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.11
Rot. Bonds15

About N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54829489) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
PubChem CID54829489
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC NameN-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCOC)c2)cc1
InChIInChI=1S/C24H34N2O4/c1-3-4-5-6-7-15-29-22-13-11-20(12-14-22)26-24(27)19-25-21-9-8-10-23(18-21)30-17-16-28-2/h8-14,18,25H,3-7,15-17,19H2,1-2H3,(H,26,27)
InChIKeyAFACWIGAAHBBSJ-UHFFFAOYSA-N
XLogP5.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (CID 54829489) is N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is CCCCCCCOc1ccc(NC(=O)CNc2cccc(OCCOC)c2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is AFACWIGAAHBBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-3-4-5-6-7-15-29-22-13-11-20(12-14-22)26-24(27)19-25-21-9-8-10-23(18-21)30-17-16-28-2/h8-14,18,25H,3-7,15-17,19H2,1-2H3,(H,26,27).
What are the key properties of N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 414.55 g/mol, XLogP of 5.11, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54829489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).