2-(4-butylphenyl)-N-methoxyacetamide

C13H19NO2 — CID 60701248

IUPAC2-(4-butylphenyl)-N-methoxyacetamide
SMILESCCCCc1ccc(CC(=O)NOC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-11-6-8-12(9-7-11)10-13(15)14-16-2/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyBKEASBRZDGCNSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-butylphenyl)-N-methoxyacetamide

2-(4-butylphenyl)-N-methoxyacetamide (PubChem CID 60701248) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-methoxyacetamide
PubChem CID60701248
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(4-butylphenyl)-N-methoxyacetamide
SMILESCCCCc1ccc(CC(=O)NOC)cc1
InChIInChI=1S/C13H19NO2/c1-3-4-5-11-6-8-12(9-7-11)10-13(15)14-16-2/h6-9H,3-5,10H2,1-2H3,(H,14,15)
InChIKeyBKEASBRZDGCNSQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-butylphenyl)acetate
CID 10442975
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-3-hydroxypropanoate
CID 43408407
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
propyl 2-(4-butylphenyl)acetate
CID 112724824
2-(4-butylphenyl)-N-cyanoacetamide
CID 79195321
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-butylphenyl)-1-[4-[2-(4-butylphenyl)acetyl]phenyl]ethanone
CID 58311916
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
2-(4-butylphenyl)ethyl acetate
CID 91655434
N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119422754

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-methoxyacetamide?
The IUPAC name of 2-(4-butylphenyl)-N-methoxyacetamide (CID 60701248) is 2-(4-butylphenyl)-N-methoxyacetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-methoxyacetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-methoxyacetamide is CCCCc1ccc(CC(=O)NOC)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-methoxyacetamide?
The InChIKey is BKEASBRZDGCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-11-6-8-12(9-7-11)10-13(15)14-16-2/h6-9H,3-5,10H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-butylphenyl)-N-methoxyacetamide?
2-(4-butylphenyl)-N-methoxyacetamide has a molecular weight of 221.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-methoxyacetamide is sourced from PubChem (CID 60701248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).