N-(4-methylpentoxymethyl)acetamide

C9H19NO2 — CID 139317241

IUPACN-(4-methylpentoxymethyl)acetamide
SMILESCC(=O)NCOCCCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)5-4-6-12-7-10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyFCCQNRYMWFNMEV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.53
Rot. Bonds6

About N-(4-methylpentoxymethyl)acetamide

N-(4-methylpentoxymethyl)acetamide (PubChem CID 139317241) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4-methylpentoxymethyl)acetamide.

Molecular Properties

Compound NameN-(4-methylpentoxymethyl)acetamide
PubChem CID139317241
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4-methylpentoxymethyl)acetamide
SMILESCC(=O)NCOCCCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)5-4-6-12-7-10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyFCCQNRYMWFNMEV-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
5-(4-methylpentoxy)pentan-2-one
CID 43793745
2-acetamido-3-(4-methylpentoxy)propanoic acid
CID 65443172
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 156794689
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentoxymethyl)acetamide?
The IUPAC name of N-(4-methylpentoxymethyl)acetamide (CID 139317241) is N-(4-methylpentoxymethyl)acetamide.
What is the SMILES notation for N-(4-methylpentoxymethyl)acetamide?
The canonical SMILES for N-(4-methylpentoxymethyl)acetamide is CC(=O)NCOCCCC(C)C.
What is the InChIKey of N-(4-methylpentoxymethyl)acetamide?
The InChIKey is FCCQNRYMWFNMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)5-4-6-12-7-10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(4-methylpentoxymethyl)acetamide?
N-(4-methylpentoxymethyl)acetamide has a molecular weight of 173.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentoxymethyl)acetamide is sourced from PubChem (CID 139317241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).