N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide

C11H23NO3 — CID 166039715

IUPACN-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
SMILESCOCCNC(=O)CCOCCC(C)C
InChIInChI=1S/C11H23NO3/c1-10(2)4-7-15-8-5-11(13)12-6-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyISFRSFXUQADHIX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.20
Rot. Bonds9

About N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide

N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide (PubChem CID 166039715) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
PubChem CID166039715
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
SMILESCOCCNC(=O)CCOCCC(C)C
InChIInChI=1S/C11H23NO3/c1-10(2)4-7-15-8-5-11(13)12-6-9-14-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyISFRSFXUQADHIX-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.20
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-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
5-hydroxy-4-(hydroxymethyl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 58205613
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]pent-4-ynamide
CID 176933394

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide (CID 166039715) is N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide is COCCNC(=O)CCOCCC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide?
The InChIKey is ISFRSFXUQADHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2)4-7-15-8-5-11(13)12-6-9-14-3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide?
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide has a molecular weight of 217.31 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide is sourced from PubChem (CID 166039715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).