N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide

C17H23NO2 — CID 46988385

IUPACN-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
SMILESCCCN(CC#Cc1ccccc1)C(=O)COC(C)C
InChIInChI=1S/C17H23NO2/c1-4-12-18(17(19)14-20-15(2)3)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,12-14H2,1-3H3
InChIKeyDTYLCZJSMDVOIX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.70
Rot. Bonds6

About N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide

N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide (PubChem CID 46988385) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
PubChem CID46988385
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
SMILESCCCN(CC#Cc1ccccc1)C(=O)COC(C)C
InChIInChI=1S/C17H23NO2/c1-4-12-18(17(19)14-20-15(2)3)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,12-14H2,1-3H3
InChIKeyDTYLCZJSMDVOIX-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
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 N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide (CID 46988385) is N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide is CCCN(CC#Cc1ccccc1)C(=O)COC(C)C.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide?
The InChIKey is DTYLCZJSMDVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-12-18(17(19)14-20-15(2)3)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,15H,4,12-14H2,1-3H3.
What are the key properties of N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide?
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide has a molecular weight of 273.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide is sourced from PubChem (CID 46988385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).