N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide

C10H17NO2 — CID 114389809

IUPACN-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
SMILESC#CC(C)NC(=O)CC(C)COC
InChIInChI=1S/C10H17NO2/c1-5-9(3)11-10(12)6-8(2)7-13-4/h1,8-9H,6-7H2,2-4H3,(H,11,12)
InChIKeyQFWCNXAPNLGLRM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds5

About N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide

N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide (PubChem CID 114389809) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
PubChem CID114389809
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
SMILESC#CC(C)NC(=O)CC(C)COC
InChIInChI=1S/C10H17NO2/c1-5-9(3)11-10(12)6-8(2)7-13-4/h1,8-9H,6-7H2,2-4H3,(H,11,12)
InChIKeyQFWCNXAPNLGLRM-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
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

4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
7-methoxy-6-methylhept-1-yn-4-one
CID 105076443
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
N-(1-amino-4-methylpentan-3-yl)-4-methoxy-3-methylbutanamide
CID 106356788
N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
2-(but-3-yn-2-ylcarbamoylamino)-4-methoxybutanoic acid
CID 114418561
N-but-3-yn-2-yl-2-cyanoacetamide
CID 114417353
N-but-3-yn-2-yl-4-hydroxypentanamide
CID 114420373
N-but-3-yn-2-yl-4-hydroxybutanamide
CID 114420372
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
4-methoxy-3-methylbutanoate
CID 22362636
N-but-3-yn-2-ylhexanamide
CID 114389654

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide?
The IUPAC name of N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide (CID 114389809) is N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide is C#CC(C)NC(=O)CC(C)COC.
What is the InChIKey of N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide?
The InChIKey is QFWCNXAPNLGLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(3)11-10(12)6-8(2)7-13-4/h1,8-9H,6-7H2,2-4H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide?
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 114389809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).