N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide

C18H27NO3 — CID 58427329

IUPACN-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
SMILESCCCCc1ccc(C(=O)CCCNC(=O)COCC)cc1
InChIInChI=1S/C18H27NO3/c1-3-5-7-15-9-11-16(12-10-15)17(20)8-6-13-19-18(21)14-22-4-2/h9-12H,3-8,13-14H2,1-2H3,(H,19,21)
InChIKeyCNLUGHBSOILNRQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.14
Rot. Bonds11

About N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide

N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide (PubChem CID 58427329) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
PubChem CID58427329
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide
SMILESCCCCc1ccc(C(=O)CCCNC(=O)COCC)cc1
InChIInChI=1S/C18H27NO3/c1-3-5-7-15-9-11-16(12-10-15)17(20)8-6-13-19-18(21)14-22-4-2/h9-12H,3-8,13-14H2,1-2H3,(H,19,21)
InChIKeyCNLUGHBSOILNRQ-UHFFFAOYSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
1-(4-butylphenyl)heptane-1,5-dione
CID 58301472
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
6-bromo-1-(4-butylphenyl)hexan-1-one
CID 146005459
7-(4-butylphenyl)-7-oxoheptanoic acid
CID 24727167
N-[4-(4-methylphenyl)-4-oxobutyl]-2-[2-(4-oxoheptoxy)ethoxy]acetamide
CID 58427304
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
4-(4-butylphenyl)-4-oxobutanamide
CID 47319697
4-[2-[(2-pentoxyacetyl)amino]ethyl]benzoic acid
CID 119168616
1-(4-propylphenyl)decan-1-one
CID 65449493
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide?
The IUPAC name of N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide (CID 58427329) is N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide is CCCCc1ccc(C(=O)CCCNC(=O)COCC)cc1.
What is the InChIKey of N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide?
The InChIKey is CNLUGHBSOILNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-5-7-15-9-11-16(12-10-15)17(20)8-6-13-19-18(21)14-22-4-2/h9-12H,3-8,13-14H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide?
N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide has a molecular weight of 305.42 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butylphenyl)-4-oxobutyl]-2-ethoxyacetamide is sourced from PubChem (CID 58427329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).