N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide

C12H25NO2 — CID 79200204

IUPACN-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(14)7-8-11(15)13(6)10(2)12(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyKTAKOIDSQPHMAD-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.04
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide

N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide (PubChem CID 79200204) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
PubChem CID79200204
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide
SMILESCC(O)CCC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(14)7-8-11(15)13(6)10(2)12(3,4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyKTAKOIDSQPHMAD-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
N-(3,3-dimethylbutan-2-yl)-N-methylcarbamoyl chloride
CID 79887073
2,8-dihydroxynonan-5-one
CID 174799972
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
CID 60948231
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
(5S)-5-hydroxyhexan-2-one
CID 11491928
(2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoic acid
CID 145294959

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide (CID 79200204) is N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide is CC(O)CCC(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide?
The InChIKey is KTAKOIDSQPHMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(14)7-8-11(15)13(6)10(2)12(3,4)5/h9-10,14H,7-8H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide?
N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79200204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).