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

C14H18N2O — CID 54966873

IUPACN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccccc1C#CCN
InChIInChI=1S/C14H18N2O/c1-11(2)14(17)16-10-13-7-4-3-6-12(13)8-5-9-15/h3-4,6-7,11H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyJMHYTNXIFSWCRV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.27
Rot. Bonds3

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

N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 54966873) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
PubChem CID54966873
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccccc1C#CCN
InChIInChI=1S/C14H18N2O/c1-11(2)14(17)16-10-13-7-4-3-6-12(13)8-5-9-15/h3-4,6-7,11H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyJMHYTNXIFSWCRV-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-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]-2-methylsulfonylpropanamide
CID 104520983
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylsulfanylpropanamide
CID 54966871
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209963
3-[[2-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106917845
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158748
2-(3-aminoprop-1-ynyl)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701688
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 54969275
3-[2-(3-methylbutan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-amine
CID 107754436
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide (CID 54966873) is N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccccc1C#CCN.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is JMHYTNXIFSWCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)14(17)16-10-13-7-4-3-6-12(13)8-5-9-15/h3-4,6-7,11H,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide?
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 54966873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).