N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide

C14H29NO3 — CID 156795089

IUPACN-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
SMILESCCCCNC(=O)COCCOCCCC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-8-15-14(16)12-18-11-10-17-9-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyRSUPGYKNDXMCSU-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds12

About N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide

N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide (PubChem CID 156795089) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
PubChem CID156795089
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
SMILESCCCCNC(=O)COCCOCCCC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-8-15-14(16)12-18-11-10-17-9-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyRSUPGYKNDXMCSU-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
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-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide (CID 156795089) is N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide is CCCCNC(=O)COCCOCCCC(C)C.
What is the InChIKey of N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide?
The InChIKey is RSUPGYKNDXMCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-5-8-15-14(16)12-18-11-10-17-9-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide?
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide has a molecular weight of 259.39 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide is sourced from PubChem (CID 156795089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).