2-(butoxymethyl)-N-ethylpentanamide

C12H25NO2 — CID 140571317

IUPAC2-(butoxymethyl)-N-ethylpentanamide
SMILESCCCCOCC(CCC)C(=O)NCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-15-10-11(8-5-2)12(14)13-6-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyPZBXZYOAILQILK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.36
Rot. Bonds9

About 2-(butoxymethyl)-N-ethylpentanamide

2-(butoxymethyl)-N-ethylpentanamide (PubChem CID 140571317) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(butoxymethyl)-N-ethylpentanamide.

Molecular Properties

Compound Name2-(butoxymethyl)-N-ethylpentanamide
PubChem CID140571317
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(butoxymethyl)-N-ethylpentanamide
SMILESCCCCOCC(CCC)C(=O)NCC
InChIInChI=1S/C12H25NO2/c1-4-7-9-15-10-11(8-5-2)12(14)13-6-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyPZBXZYOAILQILK-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.36
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

(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
(3S)-N-[[1-(methoxymethyl)cyclobutyl]methyl]oxolane-3-carboxamide
CID 164640063
Ethyl 2-(3,3,3-trifluoropropylcarbamoyl)pentanoate
CID 153870948
3-methoxy-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 166437739
N-(2-fluoroethyl)oxane-3-carboxamide
CID 126989096
N-(1-fluoropropan-2-yl)oxane-3-carboxamide
CID 130875159
N-(3-butoxypropyl)-2-methylpentanamide
CID 2914717
N-(3-ethoxypropyl)-2-methylpentanamide
CID 2930919
N-(3-butoxypropyl)pentanamide
CID 4629848
N-(3-ethoxypropyl)pentanamide
CID 5153637
3-hexoxy-N-(2-methylbutyl)propanamide
CID 11564990

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-N-ethylpentanamide?
The IUPAC name of 2-(butoxymethyl)-N-ethylpentanamide (CID 140571317) is 2-(butoxymethyl)-N-ethylpentanamide.
What is the SMILES notation for 2-(butoxymethyl)-N-ethylpentanamide?
The canonical SMILES for 2-(butoxymethyl)-N-ethylpentanamide is CCCCOCC(CCC)C(=O)NCC.
What is the InChIKey of 2-(butoxymethyl)-N-ethylpentanamide?
The InChIKey is PZBXZYOAILQILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-9-15-10-11(8-5-2)12(14)13-6-3/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-(butoxymethyl)-N-ethylpentanamide?
2-(butoxymethyl)-N-ethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-N-ethylpentanamide is sourced from PubChem (CID 140571317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).