N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide

C21H28N2O2 — CID 54823404

IUPACN-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C21H28N2O2/c1-4-5-14-25-20-13-9-8-12-19(20)23-21(24)15-22-18-11-7-6-10-17(18)16(2)3/h6-13,16,22H,4-5,14-15H2,1-3H3,(H,23,24)
InChIKeyYHUYVHDMUYKTJE-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.04
Rot. Bonds9

About N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide

N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide (PubChem CID 54823404) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
PubChem CID54823404
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
SMILESCCCCOc1ccccc1NC(=O)CNc1ccccc1C(C)C
InChIInChI=1S/C21H28N2O2/c1-4-5-14-25-20-13-9-8-12-19(20)23-21(24)15-22-18-11-7-6-10-17(18)16(2)3/h6-13,16,22H,4-5,14-15H2,1-3H3,(H,23,24)
InChIKeyYHUYVHDMUYKTJE-UHFFFAOYSA-N
XLogP5.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-(2-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820437
N-(2-butoxyphenyl)propanamide
CID 15943029
2-(2-butoxyanilino)-N-ethylacetamide
CID 54828166
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide (CID 54823404) is N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide is CCCCOc1ccccc1NC(=O)CNc1ccccc1C(C)C.
What is the InChIKey of N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is YHUYVHDMUYKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-5-14-25-20-13-9-8-12-19(20)23-21(24)15-22-18-11-7-6-10-17(18)16(2)3/h6-13,16,22H,4-5,14-15H2,1-3H3,(H,23,24).
What are the key properties of N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide?
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 340.47 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 54823404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).