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

C15H19NO3 — CID 55091735

IUPACN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)Cc1ccccc1C#CCO
InChIInChI=1S/C15H19NO3/c1-16(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-17/h3-4,6-7,17H,9-12H2,1-2H3
InChIKeyRRVACNARYDVXOD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.03
Rot. Bonds5

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

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide (PubChem CID 55091735) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
PubChem CID55091735
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)Cc1ccccc1C#CCO
InChIInChI=1S/C15H19NO3/c1-16(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-17/h3-4,6-7,17H,9-12H2,1-2H3
InChIKeyRRVACNARYDVXOD-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 62590239
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methyloxane-2-carboxamide
CID 62215167
3-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63966881
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009322
3-[2-[[ethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970383
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78914133
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82960795
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxythiophene-2-carboxamide
CID 81121475
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The IUPAC name of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide (CID 55091735) is N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The canonical SMILES for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide is COCCC(=O)N(C)Cc1ccccc1C#CCO.
What is the InChIKey of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The InChIKey is RRVACNARYDVXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-17/h3-4,6-7,17H,9-12H2,1-2H3.
What are the key properties of N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 55091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).