2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C22H30N2O3 — CID 54820264

IUPAC2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-14-26-20-12-8-19(9-13-20)23-16-22(25)24-15-18-6-10-21(11-7-18)27-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyJRMMWUIVMAXXPZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.38
Rot. Bonds11

About 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 54820264) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID54820264
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCCCOc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-5-14-26-20-12-8-19(9-13-20)23-16-22(25)24-15-18-6-10-21(11-7-18)27-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25)
InChIKeyJRMMWUIVMAXXPZ-UHFFFAOYSA-N
XLogP4.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.38
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'}

Analyze 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]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

2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 54820264) is 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CCCCOc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is JRMMWUIVMAXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-5-14-26-20-12-8-19(9-13-20)23-16-22(25)24-15-18-6-10-21(11-7-18)27-17(2)3/h6-13,17,23H,4-5,14-16H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.38, 11 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-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 54820264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).