2-(methylamino)-4-(2-methylpropoxy)butanamide

C9H20N2O2 — CID 63039671

IUPAC2-(methylamino)-4-(2-methylpropoxy)butanamide
SMILESCNC(CCOCC(C)C)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-7(2)6-13-5-4-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyVGVTUSXPBMVJBP-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds7

About 2-(methylamino)-4-(2-methylpropoxy)butanamide

2-(methylamino)-4-(2-methylpropoxy)butanamide (PubChem CID 63039671) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(methylamino)-4-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-(2-methylpropoxy)butanamide
PubChem CID63039671
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(methylamino)-4-(2-methylpropoxy)butanamide
SMILESCNC(CCOCC(C)C)C(N)=O
InChIInChI=1S/C9H20N2O2/c1-7(2)6-13-5-4-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyVGVTUSXPBMVJBP-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
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

2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
2,5-bis(methylamino)hexanediamide
CID 66221520
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501
3-[2-(2-methylpropoxy)ethoxy]-2-(propylamino)propanamide
CID 106448880
methyl 2-(methylamino)-4-(2-methylpentoxy)butanoate
CID 103284997
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-(methylamino)-3-(2-methylpentoxy)propanamide
CID 103284904
3-(2-methylpropoxy)propanoic acid
CID 15033462
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2-methylpropoxy)butanamide?
The IUPAC name of 2-(methylamino)-4-(2-methylpropoxy)butanamide (CID 63039671) is 2-(methylamino)-4-(2-methylpropoxy)butanamide.
What is the SMILES notation for 2-(methylamino)-4-(2-methylpropoxy)butanamide?
The canonical SMILES for 2-(methylamino)-4-(2-methylpropoxy)butanamide is CNC(CCOCC(C)C)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-(2-methylpropoxy)butanamide?
The InChIKey is VGVTUSXPBMVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)6-13-5-4-8(11-3)9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 2-(methylamino)-4-(2-methylpropoxy)butanamide?
2-(methylamino)-4-(2-methylpropoxy)butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2-methylpropoxy)butanamide is sourced from PubChem (CID 63039671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).