3-methyl-N-(4-methylpentan-2-yloxy)butanamide

C11H23NO2 — CID 143833988

IUPAC3-methyl-N-(4-methylpentan-2-yloxy)butanamide
SMILESCC(C)CC(=O)NOC(C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-10(5)14-12-11(13)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,12,13)
InChIKeyZLDAAZRDIWELOV-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.51
Rot. Bonds6

About 3-methyl-N-(4-methylpentan-2-yloxy)butanamide

3-methyl-N-(4-methylpentan-2-yloxy)butanamide (PubChem CID 143833988) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpentan-2-yloxy)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpentan-2-yloxy)butanamide
PubChem CID143833988
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methyl-N-(4-methylpentan-2-yloxy)butanamide
SMILESCC(C)CC(=O)NOC(C)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-10(5)14-12-11(13)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,12,13)
InChIKeyZLDAAZRDIWELOV-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(methoxymethoxy)-3-methylbutanamide
CID 110495435
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
N-hydroxy-3-methylbutanamide
CID 13258739
N-iodo-3-methylbutanamide
CID 135276105
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
N-(2-chloro-4-methylpentyl)-3-methylbutanamide
CID 107157282
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
[(1R)-1-[(2-aminoacetyl)amino]-3-methylbutyl]boronic acid
CID 53362658
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
methyl 2-bromo-3-(3-methylbutanoylamino)propanoate
CID 103492559

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpentan-2-yloxy)butanamide?
The IUPAC name of 3-methyl-N-(4-methylpentan-2-yloxy)butanamide (CID 143833988) is 3-methyl-N-(4-methylpentan-2-yloxy)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methylpentan-2-yloxy)butanamide?
The canonical SMILES for 3-methyl-N-(4-methylpentan-2-yloxy)butanamide is CC(C)CC(=O)NOC(C)CC(C)C.
What is the InChIKey of 3-methyl-N-(4-methylpentan-2-yloxy)butanamide?
The InChIKey is ZLDAAZRDIWELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-10(5)14-12-11(13)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-methyl-N-(4-methylpentan-2-yloxy)butanamide?
3-methyl-N-(4-methylpentan-2-yloxy)butanamide has a molecular weight of 201.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpentan-2-yloxy)butanamide is sourced from PubChem (CID 143833988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).