4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide

C11H19NO2 — CID 103578918

IUPAC4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
SMILESC#CC(CC)NC(=O)CC(C)COC
InChIInChI=1S/C11H19NO2/c1-5-10(6-2)12-11(13)7-9(3)8-14-4/h1,9-10H,6-8H2,2-4H3,(H,12,13)
InChIKeyCVGFVJVITYTWTH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.19
Rot. Bonds6

About 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide

4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide (PubChem CID 103578918) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
PubChem CID103578918
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
SMILESC#CC(CC)NC(=O)CC(C)COC
InChIInChI=1S/C11H19NO2/c1-5-10(6-2)12-11(13)7-9(3)8-14-4/h1,9-10H,6-8H2,2-4H3,(H,12,13)
InChIKeyCVGFVJVITYTWTH-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809
3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
CID 106230416
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
7-methoxy-6-methylhept-1-yn-4-one
CID 105076443
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325
(2R)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232347
3-methyl-2-(pent-1-yn-3-ylcarbamoylamino)pentanoic acid
CID 106232104
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
N-ethyl-6-methoxy-5-methylhex-1-yn-3-amine
CID 105158261

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide?
The IUPAC name of 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide (CID 103578918) is 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide?
The canonical SMILES for 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide is C#CC(CC)NC(=O)CC(C)COC.
What is the InChIKey of 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide?
The InChIKey is CVGFVJVITYTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-10(6-2)12-11(13)7-9(3)8-14-4/h1,9-10H,6-8H2,2-4H3,(H,12,13).
What are the key properties of 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide?
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide is sourced from PubChem (CID 103578918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).