N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide

C13H22N2O2 — CID 14025466

IUPACN-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide
SMILESCCN(CC)CC#CC(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-14(7-2)10-8-9-11(3)15(12(4)16)13(5)17/h11H,6-7,10H2,1-5H3
InChIKeyDJCNRXDIKSJLFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.12
Rot. Bonds4

About N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide

N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide (PubChem CID 14025466) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide
PubChem CID14025466
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide
SMILESCCN(CC)CC#CC(C)N(C(C)=O)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-6-14(7-2)10-8-9-11(3)15(12(4)16)13(5)17/h11H,6-7,10H2,1-5H3
InChIKeyDJCNRXDIKSJLFI-UHFFFAOYSA-N
XLogP1.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide?
The IUPAC name of N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide (CID 14025466) is N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide?
The canonical SMILES for N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide is CCN(CC)CC#CC(C)N(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide?
The InChIKey is DJCNRXDIKSJLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-14(7-2)10-8-9-11(3)15(12(4)16)13(5)17/h11H,6-7,10H2,1-5H3.
What are the key properties of N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide?
N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide has a molecular weight of 238.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[5-(diethylamino)pent-3-yn-2-yl]acetamide is sourced from PubChem (CID 14025466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).