2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide

C22H30N2O3 — CID 54830327

IUPAC2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-6-15-26-20-11-9-19(10-12-20)24-22(25)16-23-18-7-13-21(14-8-18)27-17(3)5-2/h7-14,17,23H,4-6,15-16H2,1-3H3,(H,24,25)
InChIKeyGHQYYUQBKWJTKK-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.09
Rot. Bonds11

About 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide

2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide (PubChem CID 54830327) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
PubChem CID54830327
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-6-15-26-20-11-9-19(10-12-20)24-22(25)16-23-18-7-13-21(14-8-18)27-17(3)5-2/h7-14,17,23H,4-6,15-16H2,1-3H3,(H,24,25)
InChIKeyGHQYYUQBKWJTKK-UHFFFAOYSA-N
XLogP5.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.09
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

2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(4-butan-2-yloxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54830155
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839201
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide?
The IUPAC name of 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide (CID 54830327) is 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide is CCCCOc1ccc(NC(=O)CNc2ccc(OC(C)CC)cc2)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide?
The InChIKey is GHQYYUQBKWJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-6-15-26-20-11-9-19(10-12-20)24-22(25)16-23-18-7-13-21(14-8-18)27-17(3)5-2/h7-14,17,23H,4-6,15-16H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide?
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 5.09, 11 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-(4-butoxyphenyl)acetamide is sourced from PubChem (CID 54830327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).