4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide

C12H25NO2 — CID 177120223

IUPAC4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)8-13-12(14)6-5-7-15-9-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyGXILHYVGNICZMG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds8

About 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide

4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide (PubChem CID 177120223) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
PubChem CID177120223
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)CCCOCC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)8-13-12(14)6-5-7-15-9-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyGXILHYVGNICZMG-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-(2-methylpropoxy)propyl]pentanediamide
CID 167464495
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
CID 153306593
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
2-methylpropyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 121469854

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide (CID 177120223) is 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)CCCOCC(C)C.
What is the InChIKey of 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide?
The InChIKey is GXILHYVGNICZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)8-13-12(14)6-5-7-15-9-11(3)4/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide?
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide has a molecular weight of 215.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 177120223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).