N-(2-methylpropoxy)but-2-ynamide

C8H13NO2 — CID 107989472

IUPACN-(2-methylpropoxy)but-2-ynamide
SMILESCC#CC(=O)NOCC(C)C
InChIInChI=1S/C8H13NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,6H2,1-3H3,(H,9,10)
InChIKeyICZYTPRQFGXVER-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.71
Rot. Bonds3

About N-(2-methylpropoxy)but-2-ynamide

N-(2-methylpropoxy)but-2-ynamide (PubChem CID 107989472) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-methylpropoxy)but-2-ynamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)but-2-ynamide
PubChem CID107989472
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-methylpropoxy)but-2-ynamide
SMILESCC#CC(=O)NOCC(C)C
InChIInChI=1S/C8H13NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,6H2,1-3H3,(H,9,10)
InChIKeyICZYTPRQFGXVER-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
N-(2-methylpropoxy)butanamide
CID 87986570
3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
CID 82715896
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
N-(2-methylpropoxy)cyclopropanecarboxamide
CID 115410090
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958
2-(tert-butylamino)-N-(2-methylpropoxy)acetamide
CID 115410316
N-(1-amino-3-methylbutan-2-yl)but-2-ynamide
CID 107990479
1-ethyl-1-methyl-3-(2-methylpropoxy)urea
CID 115752940
2-methylpropyl acetate;hydrate
CID 86585368
N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
CID 130660257
4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)but-2-ynamide?
The IUPAC name of N-(2-methylpropoxy)but-2-ynamide (CID 107989472) is N-(2-methylpropoxy)but-2-ynamide.
What is the SMILES notation for N-(2-methylpropoxy)but-2-ynamide?
The canonical SMILES for N-(2-methylpropoxy)but-2-ynamide is CC#CC(=O)NOCC(C)C.
What is the InChIKey of N-(2-methylpropoxy)but-2-ynamide?
The InChIKey is ICZYTPRQFGXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-5-8(10)9-11-6-7(2)3/h7H,6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methylpropoxy)but-2-ynamide?
N-(2-methylpropoxy)but-2-ynamide has a molecular weight of 155.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)but-2-ynamide is sourced from PubChem (CID 107989472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).