(2S)-2-methyl-N-prop-2-ynylbutanamide

C8H13NO — CID 55288503

IUPAC(2S)-2-methyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)[C@@H](C)CC
InChIInChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h1,7H,5-6H2,2-3H3,(H,9,10)/t7-/m0/s1
InChIKeyAYEYOZGZINCRDE-ZETCQYMHSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds3

About (2S)-2-methyl-N-prop-2-ynylbutanamide

(2S)-2-methyl-N-prop-2-ynylbutanamide (PubChem CID 55288503) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2S)-2-methyl-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-prop-2-ynylbutanamide
PubChem CID55288503
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2S)-2-methyl-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)[C@@H](C)CC
InChIInChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h1,7H,5-6H2,2-3H3,(H,9,10)/t7-/m0/s1
InChIKeyAYEYOZGZINCRDE-ZETCQYMHSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butanamide, N-(2-methylpropyl)-
CID 346250
N-Isopentylacetamide
CID 98643
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
n-(2-Methylbutyl)acetamide
CID 291446
N-(prop-2-yn-1-yl)cyclopropanecarboxamide
CID 22404716
N-(prop-2-yn-1-yl)propanamide
CID 12155512
N-(3-Methylbutyl)propanamide
CID 5152799
Butanamide, 3-methyl-N-propyl
CID 528603
N-Isobutylcyclopropanecarboxamide
CID 528614
Isobutyramide, N-(3-methylbutyl)-
CID 4083229
3-methyl-N-(2-methylpropyl)butanamide
CID 233652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-prop-2-ynylbutanamide?
The IUPAC name of (2S)-2-methyl-N-prop-2-ynylbutanamide (CID 55288503) is (2S)-2-methyl-N-prop-2-ynylbutanamide.
What is the SMILES notation for (2S)-2-methyl-N-prop-2-ynylbutanamide?
The canonical SMILES for (2S)-2-methyl-N-prop-2-ynylbutanamide is C#CCNC(=O)[C@@H](C)CC.
What is the InChIKey of (2S)-2-methyl-N-prop-2-ynylbutanamide?
The InChIKey is AYEYOZGZINCRDE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-9-8(10)7(3)5-2/h1,7H,5-6H2,2-3H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-N-prop-2-ynylbutanamide?
(2S)-2-methyl-N-prop-2-ynylbutanamide has a molecular weight of 139.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-prop-2-ynylbutanamide is sourced from PubChem (CID 55288503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).