4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide

C12H25NO3 — CID 78884888

IUPAC4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
SMILESCOCCCC(=O)N(CCOC)CC(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)10-13(7-9-16-4)12(14)6-5-8-15-3/h11H,5-10H2,1-4H3
InChIKeyNIMRTXYVASBWRA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.54
Rot. Bonds9

About 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide

4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide (PubChem CID 78884888) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
PubChem CID78884888
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
SMILESCOCCCC(=O)N(CCOC)CC(C)C
InChIInChI=1S/C12H25NO3/c1-11(2)10-13(7-9-16-4)12(14)6-5-8-15-3/h11H,5-10H2,1-4H3
InChIKeyNIMRTXYVASBWRA-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
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-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)hexanamide
CID 82851354
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide (CID 78884888) is 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide is COCCCC(=O)N(CCOC)CC(C)C.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The InChIKey is NIMRTXYVASBWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2)10-13(7-9-16-4)12(14)6-5-8-15-3/h11H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide has a molecular weight of 231.34 g/mol, XLogP of 1.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 78884888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).