2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide

C17H22N2O2 — CID 106000492

IUPAC2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESNCC#Cc1ccccc1C(=O)NCCC1CCCCO1
InChIInChI=1S/C17H22N2O2/c18-11-5-7-14-6-1-2-9-16(14)17(20)19-12-10-15-8-3-4-13-21-15/h1-2,6,9,15H,3-4,8,10-13,18H2,(H,19,20)
InChIKeyMIVYTPKDRZQKFO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.69
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide

2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide (PubChem CID 106000492) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
PubChem CID106000492
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESNCC#Cc1ccccc1C(=O)NCCC1CCCCO1
InChIInChI=1S/C17H22N2O2/c18-11-5-7-14-6-1-2-9-16(14)17(20)19-12-10-15-8-3-4-13-21-15/h1-2,6,9,15H,3-4,8,10-13,18H2,(H,19,20)
InChIKeyMIVYTPKDRZQKFO-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993683
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 81293317
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 107524152
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
3-[2-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 65164533
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide (CID 106000492) is 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide is NCC#Cc1ccccc1C(=O)NCCC1CCCCO1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide?
The InChIKey is MIVYTPKDRZQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-11-5-7-14-6-1-2-9-16(14)17(20)19-12-10-15-8-3-4-13-21-15/h1-2,6,9,15H,3-4,8,10-13,18H2,(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide?
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 106000492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).