3-methoxy-3-methyl-N-pent-3-ynylbutanamide

C11H19NO2 — CID 103022333

IUPAC3-methoxy-3-methyl-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h7-9H2,1-4H3,(H,12,13)
InChIKeyLYBPBJIIYYNRKP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds5

About 3-methoxy-3-methyl-N-pent-3-ynylbutanamide

3-methoxy-3-methyl-N-pent-3-ynylbutanamide (PubChem CID 103022333) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-pent-3-ynylbutanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-pent-3-ynylbutanamide
PubChem CID103022333
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methoxy-3-methyl-N-pent-3-ynylbutanamide
SMILESCC#CCCNC(=O)CC(C)(C)OC
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h7-9H2,1-4H3,(H,12,13)
InChIKeyLYBPBJIIYYNRKP-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-methoxy-3-methylbutanamide
CID 103020097
2-chloro-N-pent-3-ynylacetamide
CID 116643290
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
4-methoxy-N-pent-3-ynylbutanamide
CID 115977312
methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
CID 103021720
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
3-ethoxy-N-pent-3-ynylpropanamide
CID 115977143
N,3-dimethoxy-3-methylbutanamide
CID 103021007
3,3-dimethyl-5-oxo-5-(pent-3-ynylcarbamoylamino)pentanoic acid
CID 116644377
2-(4-methoxyphenyl)-N-pent-3-ynylacetamide
CID 115977208

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-pent-3-ynylbutanamide?
The IUPAC name of 3-methoxy-3-methyl-N-pent-3-ynylbutanamide (CID 103022333) is 3-methoxy-3-methyl-N-pent-3-ynylbutanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-pent-3-ynylbutanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-pent-3-ynylbutanamide is CC#CCCNC(=O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-pent-3-ynylbutanamide?
The InChIKey is LYBPBJIIYYNRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-7-8-12-10(13)9-11(2,3)14-4/h7-9H2,1-4H3,(H,12,13).
What are the key properties of 3-methoxy-3-methyl-N-pent-3-ynylbutanamide?
3-methoxy-3-methyl-N-pent-3-ynylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-pent-3-ynylbutanamide is sourced from PubChem (CID 103022333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).