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

C12H26N2O3 — CID 62473959

IUPAC2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
SMILESCOCCC(N)C(=O)N(CCOC)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)9-14(6-8-17-4)12(15)11(13)5-7-16-3/h10-11H,5-9,13H2,1-4H3
InChIKeyKDZOMWVETCNIFX-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.48
Rot. Bonds9

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

2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide (PubChem CID 62473959) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
PubChem CID62473959
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
SMILESCOCCC(N)C(=O)N(CCOC)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-10(2)9-14(6-8-17-4)12(15)11(13)5-7-16-3/h10-11H,5-9,13H2,1-4H3
InChIKeyKDZOMWVETCNIFX-UHFFFAOYSA-N
XLogP0.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
CID 81088046
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
2-amino-N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 62473961
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2R)-2-amino-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpentanamide
CID 103338814
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide (CID 62473959) is 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide is COCCC(N)C(=O)N(CCOC)CC(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
The InChIKey is KDZOMWVETCNIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-10(2)9-14(6-8-17-4)12(15)11(13)5-7-16-3/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide?
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 62473959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).