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

C10H21NO2 — CID 138727622

IUPACN-[2-(4-methylpentoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-4-7-13-8-6-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORWXZRMRSKXPQD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds7

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

N-[2-(4-methylpentoxy)ethyl]acetamide (PubChem CID 138727622) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)ethyl]acetamide
PubChem CID138727622
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[2-(4-methylpentoxy)ethyl]acetamide
SMILESCC(=O)NCCOCCCC(C)C
InChIInChI=1S/C10H21NO2/c1-9(2)5-4-7-13-8-6-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORWXZRMRSKXPQD-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
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-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-(4-methylpentoxymethyl)acetamide
CID 139317241
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
2-methyl-N-[2-(4-methylpentoxy)ethyl]butanamide
CID 156530460
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
2-[2-(4-methylpentoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 166456371
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
5-(4-methylpentoxy)pentan-2-one
CID 43793745
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentoxy)ethyl]acetamide?
The IUPAC name of N-[2-(4-methylpentoxy)ethyl]acetamide (CID 138727622) is N-[2-(4-methylpentoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-methylpentoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(4-methylpentoxy)ethyl]acetamide is CC(=O)NCCOCCCC(C)C.
What is the InChIKey of N-[2-(4-methylpentoxy)ethyl]acetamide?
The InChIKey is ORWXZRMRSKXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)5-4-7-13-8-6-11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-[2-(4-methylpentoxy)ethyl]acetamide?
N-[2-(4-methylpentoxy)ethyl]acetamide has a molecular weight of 187.28 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)ethyl]acetamide is sourced from PubChem (CID 138727622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).