N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide

C11H22N2O3 — CID 155094769

IUPACN-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
SMILESCCOCCC(C)C(=O)NCCNC(C)=O
InChIInChI=1S/C11H22N2O3/c1-4-16-8-5-9(2)11(15)13-7-6-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyIPNDUPJSFSRECY-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds8

About N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide

N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide (PubChem CID 155094769) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
PubChem CID155094769
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
SMILESCCOCCC(C)C(=O)NCCNC(C)=O
InChIInChI=1S/C11H22N2O3/c1-4-16-8-5-9(2)11(15)13-7-6-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyIPNDUPJSFSRECY-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
N-(2-acetamidoethyl)-2-bromopropanamide
CID 82110777
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[[N-ethyl-N'-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111970991
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?
The IUPAC name of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide (CID 155094769) is N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide is CCOCCC(C)C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?
The InChIKey is IPNDUPJSFSRECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-16-8-5-9(2)11(15)13-7-6-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?
N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide is sourced from PubChem (CID 155094769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).