N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide

C14H18N2O2 — CID 112603659

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C14H18N2O2/c1-11(2)18-10-14(17)16-13-7-3-5-12(9-13)6-4-8-15/h3,5,7,9,11H,8,10,15H2,1-2H3,(H,16,17)
InChIKeyLIOVFXUJLBPCPW-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.36
Rot. Bonds4

About N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide

N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112603659) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112603659
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C14H18N2O2/c1-11(2)18-10-14(17)16-13-7-3-5-12(9-13)6-4-8-15/h3,5,7,9,11H,8,10,15H2,1-2H3,(H,16,17)
InChIKeyLIOVFXUJLBPCPW-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 62588428
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802580
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-[3-(3-aminoprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477904
N-[3-(3-aminoprop-1-ynyl)phenyl]-2,3-dimethylbenzamide
CID 60803778
N-[3-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604048
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 60803937
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
1-[3-(3-aminoprop-1-ynyl)phenyl]-3-(3-chlorophenyl)urea
CID 60813427
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide (CID 112603659) is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1cccc(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is LIOVFXUJLBPCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(2)18-10-14(17)16-13-7-3-5-12(9-13)6-4-8-15/h3,5,7,9,11H,8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).