2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

C23H32N2O3 — CID 54820391

IUPAC2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-4-5-15-27-21-10-6-19(7-11-21)24-17-23(26)25-20-8-12-22(13-9-20)28-16-14-18(2)3/h6-13,18,24H,4-5,14-17H2,1-3H3,(H,25,26)
InChIKeyFZIOSHAMNCQOCS-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.34
Rot. Bonds12

About 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54820391) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54820391
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-4-5-15-27-21-10-6-19(7-11-21)24-17-23(26)25-20-8-12-22(13-9-20)28-16-14-18(2)3/h6-13,18,24H,4-5,14-17H2,1-3H3,(H,25,26)
InChIKeyFZIOSHAMNCQOCS-UHFFFAOYSA-N
XLogP5.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.34
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-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54820391) is 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is CCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is FZIOSHAMNCQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-5-15-27-21-10-6-19(7-11-21)24-17-23(26)25-20-8-12-22(13-9-20)28-16-14-18(2)3/h6-13,18,24H,4-5,14-17H2,1-3H3,(H,25,26).
What are the key properties of 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54820391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).