N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide

C15H19NO2 — CID 113241228

IUPACN-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide
SMILESC#CCC(CC)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-9-13(5-2)16-15(17)14(18-3)12-10-7-6-8-11-12/h1,6-8,10-11,13-14H,5,9H2,2-3H3,(H,16,17)
InChIKeySTVXLUGAZCFQDV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.29
Rot. Bonds6

About N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide

N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide (PubChem CID 113241228) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide
PubChem CID113241228
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide
SMILESC#CCC(CC)NC(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-4-9-13(5-2)16-15(17)14(18-3)12-10-7-6-8-11-12/h1,6-8,10-11,13-14H,5,9H2,2-3H3,(H,16,17)
InChIKeySTVXLUGAZCFQDV-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-[2-(hex-5-yn-3-ylcarbamoyl)phenyl]acetic acid
CID 114199843
N-hex-5-yn-3-yl-3-phenyl-2-sulfanylpropanamide
CID 107035321
N-pentan-3-yl-2-phenoxy-2-phenylacetamide
CID 55752773
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
2-(hex-5-yn-3-ylcarbamoylamino)benzoic acid
CID 113477999
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide?
The IUPAC name of N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide (CID 113241228) is N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide is C#CCC(CC)NC(=O)C(OC)c1ccccc1.
What is the InChIKey of N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide?
The InChIKey is STVXLUGAZCFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-9-13(5-2)16-15(17)14(18-3)12-10-7-6-8-11-12/h1,6-8,10-11,13-14H,5,9H2,2-3H3,(H,16,17).
What are the key properties of N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide?
N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 113241228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).