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

C22H30N2O3 — CID 54820417

IUPACN-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-14-26-20-9-5-18(6-10-20)23-16-22(25)24-19-7-11-21(12-8-19)27-15-13-17(2)3/h5-12,17,23H,4,13-16H2,1-3H3,(H,24,25)
InChIKeyVSUZKEOGABUJSV-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.95
Rot. Bonds11

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

N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide (PubChem CID 54820417) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
PubChem CID54820417
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C22H30N2O3/c1-4-14-26-20-9-5-18(6-10-20)23-16-22(25)24-19-7-11-21(12-8-19)27-15-13-17(2)3/h5-12,17,23H,4,13-16H2,1-3H3,(H,24,25)
InChIKeyVSUZKEOGABUJSV-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
N-pentan-2-yl-2-(4-propoxyanilino)acetamide
CID 62328507
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide (CID 54820417) is N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)Nc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide?
The InChIKey is VSUZKEOGABUJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-14-26-20-9-5-18(6-10-20)23-16-22(25)24-19-7-11-21(12-8-19)27-15-13-17(2)3/h5-12,17,23H,4,13-16H2,1-3H3,(H,24,25).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide?
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.95, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 54820417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).