N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide

C10H21NO — CID 153456545

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(12)11-8(3)10(4,5)6/h7-8H,1-6H3,(H,11,12)/t8-/m0/s1
InChIKeyPCNLPZCALHDOFJ-QMMMGPOBSA-N
MW171.28 g/mol
LogP2.19
Rot. Bonds2

About N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide

N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide (PubChem CID 153456545) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
PubChem CID153456545
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(12)11-8(3)10(4,5)6/h7-8H,1-6H3,(H,11,12)/t8-/m0/s1
InChIKeyPCNLPZCALHDOFJ-QMMMGPOBSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
(2S)-2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-2-hydroxyacetamide
CID 172508642
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
methyl (3S)-4-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-methyl-4-oxobutanoate
CID 97019409
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 88555810
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
CID 175635601
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
2-methyl-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
CID 90347352

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide (CID 153456545) is N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](C)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
The InChIKey is PCNLPZCALHDOFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)9(12)11-8(3)10(4,5)6/h7-8H,1-6H3,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide has a molecular weight of 171.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 153456545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).