N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

C23H32N2O3 — CID 54824951

IUPACN-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C23H32N2O3/c1-4-5-14-27-21-11-9-19(10-12-21)25-23(26)17-24-20-7-6-8-22(16-20)28-15-13-18(2)3/h6-12,16,18,24H,4-5,13-15,17H2,1-3H3,(H,25,26)
InChIKeyIHIWCMDHXWFABV-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.34
Rot. Bonds12

About N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54824951) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54824951
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C23H32N2O3/c1-4-5-14-27-21-11-9-19(10-12-21)25-23(26)17-24-20-7-6-8-22(16-20)28-15-13-18(2)3/h6-12,16,18,24H,4-5,13-15,17H2,1-3H3,(H,25,26)
InChIKeyIHIWCMDHXWFABV-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825133
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54824951) is N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is CCCCOc1ccc(NC(=O)CNc2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is IHIWCMDHXWFABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-4-5-14-27-21-11-9-19(10-12-21)25-23(26)17-24-20-7-6-8-22(16-20)28-15-13-18(2)3/h6-12,16,18,24H,4-5,13-15,17H2,1-3H3,(H,25,26).
What are the key properties of N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]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 N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54824951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).