2-methyl-N-(3-methyl-2-oxobutyl)pentanamide

C11H21NO2 — CID 64996979

IUPAC2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
SMILESCCCC(C)C(=O)NCC(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-9(4)11(14)12-7-10(13)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeySQXDVFQSMGZOOP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.76
Rot. Bonds6

About 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide

2-methyl-N-(3-methyl-2-oxobutyl)pentanamide (PubChem CID 64996979) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
PubChem CID64996979
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
SMILESCCCC(C)C(=O)NCC(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-9(4)11(14)12-7-10(13)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeySQXDVFQSMGZOOP-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

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Related Compounds

2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide
CID 144951091
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
(2R)-N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-methylpentanamide
CID 145399681
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-methylpentanehydrazide
CID 43183484
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
(3-methyl-2-oxobutyl)urea
CID 20600814
1-(ethylamino)-3-methylhexan-2-one
CID 107889963
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide (CID 64996979) is 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide is CCCC(C)C(=O)NCC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide?
The InChIKey is SQXDVFQSMGZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-9(4)11(14)12-7-10(13)8(2)3/h8-9H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide?
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide 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 2-methyl-N-(3-methyl-2-oxobutyl)pentanamide is sourced from PubChem (CID 64996979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).