N-but-3-yn-2-yl-2-(methylamino)propanamide

C8H14N2O — CID 114417110

IUPACN-but-3-yn-2-yl-2-(methylamino)propanamide
SMILESC#CC(C)NC(=O)C(C)NC
InChIInChI=1S/C8H14N2O/c1-5-6(2)10-8(11)7(3)9-4/h1,6-7,9H,2-4H3,(H,10,11)
InChIKeyOHPHMNSMUMFYTN-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.27
Rot. Bonds3

About N-but-3-yn-2-yl-2-(methylamino)propanamide

N-but-3-yn-2-yl-2-(methylamino)propanamide (PubChem CID 114417110) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-(methylamino)propanamide
PubChem CID114417110
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-but-3-yn-2-yl-2-(methylamino)propanamide
SMILESC#CC(C)NC(=O)C(C)NC
InChIInChI=1S/C8H14N2O/c1-5-6(2)10-8(11)7(3)9-4/h1,6-7,9H,2-4H3,(H,10,11)
InChIKeyOHPHMNSMUMFYTN-UHFFFAOYSA-N
XLogP-0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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-2-hydroxypropanamide
CID 126994434
N-but-3-yn-2-yl-2,2-difluoroacetamide
CID 103514717
2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
2-bromo-N-but-3-yn-2-yl-3-methylbutanamide
CID 114415729
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
CID 114416657
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-(methylamino)propanamide?
The IUPAC name of N-but-3-yn-2-yl-2-(methylamino)propanamide (CID 114417110) is N-but-3-yn-2-yl-2-(methylamino)propanamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-(methylamino)propanamide?
The canonical SMILES for N-but-3-yn-2-yl-2-(methylamino)propanamide is C#CC(C)NC(=O)C(C)NC.
What is the InChIKey of N-but-3-yn-2-yl-2-(methylamino)propanamide?
The InChIKey is OHPHMNSMUMFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-6(2)10-8(11)7(3)9-4/h1,6-7,9H,2-4H3,(H,10,11).
What are the key properties of N-but-3-yn-2-yl-2-(methylamino)propanamide?
N-but-3-yn-2-yl-2-(methylamino)propanamide has a molecular weight of 154.21 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-(methylamino)propanamide is sourced from PubChem (CID 114417110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).