3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide

C13H25NO2 — CID 155245946

IUPAC3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide
SMILESCCC(=O)C(C)CC(C)NC(=O)CC(C)C
InChIInChI=1S/C13H25NO2/c1-6-12(15)10(4)8-11(5)14-13(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)
InChIKeyYDONBZBJRJXZQP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.54
Rot. Bonds7

About 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide

3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide (PubChem CID 155245946) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide
PubChem CID155245946
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide
SMILESCCC(=O)C(C)CC(C)NC(=O)CC(C)C
InChIInChI=1S/C13H25NO2/c1-6-12(15)10(4)8-11(5)14-13(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)
InChIKeyYDONBZBJRJXZQP-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
4-methyloctane-3,6-dione
CID 14711976
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
N-hydroxy-3-methylbutanamide
CID 13258739
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
N-(2-aminoethyl)-3-methyl-4-oxohexanamide
CID 145348693
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
CID 46189366

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide (CID 155245946) is 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide is CCC(=O)C(C)CC(C)NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide?
The InChIKey is YDONBZBJRJXZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-12(15)10(4)8-11(5)14-13(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide?
3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide is sourced from PubChem (CID 155245946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).