3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide

C11H21NO2 — CID 123144542

IUPAC3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
SMILESCCC(C)C(C=O)NC(=O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-9(4)10(7-13)12-11(14)6-8(2)3/h7-10H,5-6H2,1-4H3,(H,12,14)
InChIKeyNHYPDKKTLIKKTM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.76
Rot. Bonds6

About 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide

3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide (PubChem CID 123144542) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
PubChem CID123144542
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
SMILESCCC(C)C(C=O)NC(=O)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-9(4)10(7-13)12-11(14)6-8(2)3/h7-10H,5-6H2,1-4H3,(H,12,14)
InChIKeyNHYPDKKTLIKKTM-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1-oxopentan-2-yl)propanamide
CID 19592258
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
(3R)-2,3-dimethyl-N-[(3S)-3-methyl-1-oxopentan-2-yl]pentanamide
CID 172568170
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
(2S)-2-amino-3-hydroxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 52914805
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 102069271
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
CID 46189366
(3S)-3-[2-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hydrazinyl]-4-oxobutanamide
CID 130265205

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide (CID 123144542) is 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide is CCC(C)C(C=O)NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide?
The InChIKey is NHYPDKKTLIKKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9(4)10(7-13)12-11(14)6-8(2)3/h7-10H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide?
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide is sourced from PubChem (CID 123144542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).