1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide

C20H24N4O2 — CID 166416499

IUPAC1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESC#CCCC1(CCNC(=O)C2(NC(C)=O)CCCc3ccccc32)N=N1
InChIInChI=1S/C20H24N4O2/c1-3-4-11-19(23-24-19)13-14-21-18(26)20(22-15(2)25)12-7-9-16-8-5-6-10-17(16)20/h1,5-6,8,10H,4,7,9,11-14H2,2H3,(H,21,26)(H,22,25)
InChIKeyUVNVWYBLGFNCAD-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.44
Rot. Bonds7

About 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide

1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 166416499) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID166416499
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESC#CCCC1(CCNC(=O)C2(NC(C)=O)CCCc3ccccc32)N=N1
InChIInChI=1S/C20H24N4O2/c1-3-4-11-19(23-24-19)13-14-21-18(26)20(22-15(2)25)12-7-9-16-8-5-6-10-17(16)20/h1,5-6,8,10H,4,7,9,11-14H2,2H3,(H,21,26)(H,22,25)
InChIKeyUVNVWYBLGFNCAD-UHFFFAOYSA-N
XLogP2.44
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 166416499) is 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide is C#CCCC1(CCNC(=O)C2(NC(C)=O)CCCc3ccccc32)N=N1.
What is the InChIKey of 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is UVNVWYBLGFNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-4-11-19(23-24-19)13-14-21-18(26)20(22-15(2)25)12-7-9-16-8-5-6-10-17(16)20/h1,5-6,8,10H,4,7,9,11-14H2,2H3,(H,21,26)(H,22,25).
What are the key properties of 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide?
1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 166416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).