2-(butoxymethyl)-N-methylpentanamide

C11H23NO2 — CID 140571341

IUPAC2-(butoxymethyl)-N-methylpentanamide
SMILESCCCCOCC(CCC)C(=O)NC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-9-10(7-5-2)11(13)12-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyYRRCPRARIGMZNS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.97
Rot. Bonds8

About 2-(butoxymethyl)-N-methylpentanamide

2-(butoxymethyl)-N-methylpentanamide (PubChem CID 140571341) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(butoxymethyl)-N-methylpentanamide.

Molecular Properties

Compound Name2-(butoxymethyl)-N-methylpentanamide
PubChem CID140571341
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(butoxymethyl)-N-methylpentanamide
SMILESCCCCOCC(CCC)C(=O)NC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-9-10(7-5-2)11(13)12-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyYRRCPRARIGMZNS-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.97
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

N-ethyl-2-(hexoxymethyl)pentanamide
CID 140571314
(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide
CID 87197610
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
N-ethyl-2-(methoxymethyl)pentanamide
CID 140571323
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
4-butoxy-3-ethoxybutanoic acid
CID 88787167
(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
2-ethyl-N-methyltetradecanamide
CID 161072731
methyl 3-propoxy-2-(propoxymethyl)propanoate
CID 176614670
1-butoxypropan-2-ol;propanoic acid
CID 87504807
3-butoxy-2-chloropropanamide
CID 20565963

Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-N-methylpentanamide?
The IUPAC name of 2-(butoxymethyl)-N-methylpentanamide (CID 140571341) is 2-(butoxymethyl)-N-methylpentanamide.
What is the SMILES notation for 2-(butoxymethyl)-N-methylpentanamide?
The canonical SMILES for 2-(butoxymethyl)-N-methylpentanamide is CCCCOCC(CCC)C(=O)NC.
What is the InChIKey of 2-(butoxymethyl)-N-methylpentanamide?
The InChIKey is YRRCPRARIGMZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-14-9-10(7-5-2)11(13)12-3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of 2-(butoxymethyl)-N-methylpentanamide?
2-(butoxymethyl)-N-methylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-N-methylpentanamide is sourced from PubChem (CID 140571341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).