N-butyl-2-ethoxyacetamide

C8H17NO2 — CID 4132613

IUPACN-butyl-2-ethoxyacetamide
SMILESCCCCNC(=O)COCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-9-8(10)7-11-4-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPKZNCNLXMSVKLB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds6

About N-butyl-2-ethoxyacetamide

N-butyl-2-ethoxyacetamide (PubChem CID 4132613) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-butyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-butyl-2-ethoxyacetamide
PubChem CID4132613
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-butyl-2-ethoxyacetamide
SMILESCCCCNC(=O)COCC
InChIInChI=1S/C8H17NO2/c1-3-5-6-9-8(10)7-11-4-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPKZNCNLXMSVKLB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-butoxy-N-cyclohexyl-
CID 94879
N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
CID 118721810
N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
CID 118721808
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide;hydrochloride
CID 118721813
N-(4-aminobutyl)-N-(3-aminopropyl)-2-methoxyacetamide;hydrochloride
CID 118721816
Oxalic acid, monoamide, n-butyl-, ethyl ester
CID 3412787
2-methoxy-N-(3-methylbutyl)acetamide
CID 14632091
N-(3-aminopropyl)-2-methoxyacetamide hydrochloride
CID 154747260
N-(4-(diethylamino)but-2-yn-1-yl)-2-ethoxyacetamide
CID 71792450
N-butyl-2-methoxyacetamide
CID 13708111
5,9-Dioxo-1,7-dioxa-4,10-diaza-cyclododecane
CID 14793294
2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethoxyacetamide?
The IUPAC name of N-butyl-2-ethoxyacetamide (CID 4132613) is N-butyl-2-ethoxyacetamide.
What is the SMILES notation for N-butyl-2-ethoxyacetamide?
The canonical SMILES for N-butyl-2-ethoxyacetamide is CCCCNC(=O)COCC.
What is the InChIKey of N-butyl-2-ethoxyacetamide?
The InChIKey is PKZNCNLXMSVKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-6-9-8(10)7-11-4-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of N-butyl-2-ethoxyacetamide?
N-butyl-2-ethoxyacetamide has a molecular weight of 159.23 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxyacetamide is sourced from PubChem (CID 4132613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).