2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide

C24H34N2O3 — CID 54828862

IUPAC2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C24H34N2O3/c1-4-5-6-7-8-15-28-22-13-9-11-20(16-22)25-18-24(27)26-21-12-10-14-23(17-21)29-19(2)3/h9-14,16-17,19,25H,4-8,15,18H2,1-3H3,(H,26,27)
InChIKeyDSBMSAABRVZHFA-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.87
Rot. Bonds13

About 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide

2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 54828862) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
PubChem CID54828862
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C24H34N2O3/c1-4-5-6-7-8-15-28-22-13-9-11-20(16-22)25-18-24(27)26-21-12-10-14-23(17-21)29-19(2)3/h9-14,16-17,19,25H,4-8,15,18H2,1-3H3,(H,26,27)
InChIKeyDSBMSAABRVZHFA-UHFFFAOYSA-N
XLogP5.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.87
H-Bond Donors ≤ 52
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
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
3-[[2-(3-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54823185
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257

Frequently Asked Questions

What is the IUPAC name of 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide (CID 54828862) is 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide is CCCCCCCOc1cccc(NCC(=O)Nc2cccc(OC(C)C)c2)c1.
What is the InChIKey of 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is DSBMSAABRVZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-4-5-6-7-8-15-28-22-13-9-11-20(16-22)25-18-24(27)26-21-12-10-14-23(17-21)29-19(2)3/h9-14,16-17,19,25H,4-8,15,18H2,1-3H3,(H,26,27).
What are the key properties of 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide?
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 398.55 g/mol, XLogP of 5.87, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 54828862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).