N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide

C15H19NO3 — CID 107940359

IUPACN-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3/c1-2-9-19-12-15(18)16-11-14-6-3-5-13(10-14)7-4-8-17/h3,5-6,10,17H,2,8-9,11-12H2,1H3,(H,16,18)
InChIKeyXYQDYJBRNJEFET-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds6

About N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide

N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide (PubChem CID 107940359) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide
PubChem CID107940359
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1cccc(C#CCO)c1
InChIInChI=1S/C15H19NO3/c1-2-9-19-12-15(18)16-11-14-6-3-5-13(10-14)7-4-8-17/h3,5-6,10,17H,2,8-9,11-12H2,1H3,(H,16,18)
InChIKeyXYQDYJBRNJEFET-UHFFFAOYSA-N
XLogP1.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 104520929
N-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pentanamide
CID 54967071
N-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methoxy-3-methylbutanamide
CID 103021873
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-methylsulfonylethanesulfonamide
CID 63243013
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
2,5-dibromo-N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-3-carboxamide
CID 107963897
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82842076
N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816695
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide (CID 107940359) is N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCc1cccc(C#CCO)c1.
What is the InChIKey of N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide?
The InChIKey is XYQDYJBRNJEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-9-19-12-15(18)16-11-14-6-3-5-13(10-14)7-4-8-17/h3,5-6,10,17H,2,8-9,11-12H2,1H3,(H,16,18).
What are the key properties of N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide?
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 107940359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).