2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide

C24H34N2O3 — CID 54830088

IUPAC2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H34N2O3/c1-4-6-7-8-16-28-23-11-9-10-21(17-23)26-24(27)18-25-20-12-14-22(15-13-20)29-19(3)5-2/h9-15,17,19,25H,4-8,16,18H2,1-3H3,(H,26,27)
InChIKeyYPCDFEQFLKAMJG-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.87
Rot. Bonds13

About 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide

2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide (PubChem CID 54830088) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
PubChem CID54830088
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C24H34N2O3/c1-4-6-7-8-16-28-23-11-9-10-21(17-23)26-24(27)18-25-20-12-14-22(15-13-20)29-19(3)5-2/h9-15,17,19,25H,4-8,16,18H2,1-3H3,(H,26,27)
InChIKeyYPCDFEQFLKAMJG-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide?
The IUPAC name of 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide (CID 54830088) is 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide is CCCCCCOc1cccc(NC(=O)CNc2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide?
The InChIKey is YPCDFEQFLKAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-4-6-7-8-16-28-23-11-9-10-21(17-23)26-24(27)18-25-20-12-14-22(15-13-20)29-19(3)5-2/h9-15,17,19,25H,4-8,16,18H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide?
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)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-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide is sourced from PubChem (CID 54830088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).