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

C15H20N2O2 — CID 62590239

IUPACN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)Cc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2/c1-17(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-16/h3-4,6-7H,9-12,16H2,1-2H3
InChIKeyCHNKTKODSYJURX-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.99
Rot. Bonds5

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

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide (PubChem CID 62590239) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
PubChem CID62590239
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)Cc1ccccc1C#CCN
InChIInChI=1S/C15H20N2O2/c1-17(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-16/h3-4,6-7H,9-12,16H2,1-2H3
InChIKeyCHNKTKODSYJURX-UHFFFAOYSA-N
XLogP0.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 55091735
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,5-dimethylfuran-3-carboxamide
CID 114822209
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106688761
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylethanesulfonamide
CID 54966428
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 66334390
3-[2-(3-methoxypropoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970255
3-[[2-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917845
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 54969275
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpentan-1-amine
CID 54969470
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide (CID 62590239) is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide is COCCC(=O)N(C)Cc1ccccc1C#CCN.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
The InChIKey is CHNKTKODSYJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(15(18)9-11-19-2)12-14-7-4-3-6-13(14)8-5-10-16/h3-4,6-7H,9-12,16H2,1-2H3.
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide?
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 62590239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).