2-amino-N-but-2-ynylbutanamide

C8H14N2O — CID 115976942

IUPAC2-amino-N-but-2-ynylbutanamide
SMILESCC#CCNC(=O)C(N)CC
InChIInChI=1S/C8H14N2O/c1-3-5-6-10-8(11)7(9)4-2/h7H,4,6,9H2,1-2H3,(H,10,11)
InChIKeyQUHKTVFMMHZEQQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.14
Rot. Bonds3

About 2-amino-N-but-2-ynylbutanamide

2-amino-N-but-2-ynylbutanamide (PubChem CID 115976942) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-amino-N-but-2-ynylbutanamide.

Molecular Properties

Compound Name2-amino-N-but-2-ynylbutanamide
PubChem CID115976942
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-amino-N-but-2-ynylbutanamide
SMILESCC#CCNC(=O)C(N)CC
InChIInChI=1S/C8H14N2O/c1-3-5-6-10-8(11)7(9)4-2/h7H,4,6,9H2,1-2H3,(H,10,11)
InChIKeyQUHKTVFMMHZEQQ-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 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 ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-2-ynylbutanamide?
The IUPAC name of 2-amino-N-but-2-ynylbutanamide (CID 115976942) is 2-amino-N-but-2-ynylbutanamide.
What is the SMILES notation for 2-amino-N-but-2-ynylbutanamide?
The canonical SMILES for 2-amino-N-but-2-ynylbutanamide is CC#CCNC(=O)C(N)CC.
What is the InChIKey of 2-amino-N-but-2-ynylbutanamide?
The InChIKey is QUHKTVFMMHZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-6-10-8(11)7(9)4-2/h7H,4,6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-but-2-ynylbutanamide?
2-amino-N-but-2-ynylbutanamide has a molecular weight of 154.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-2-ynylbutanamide is sourced from PubChem (CID 115976942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).