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

C12H25NO3 — CID 153390509

IUPACN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCCC(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)5-4-7-15-9-10-16-8-6-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyXUUFMKFHLGXBLR-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.59
Rot. Bonds10

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

N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide (PubChem CID 153390509) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
PubChem CID153390509
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCOCCCC(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)5-4-7-15-9-10-16-8-6-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyXUUFMKFHLGXBLR-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.59
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

N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 156794689
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-(4-methylpentoxymethyl)acetamide
CID 139317241
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
2-[2-(4-methylpentoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 166456371
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide (CID 153390509) is N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide is CC(=O)NCCOCCOCCCC(C)C.
What is the InChIKey of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide?
The InChIKey is XUUFMKFHLGXBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)5-4-7-15-9-10-16-8-6-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide?
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide has a molecular weight of 231.34 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 153390509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).