N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide

C15H20N2O2 — CID 103021938

IUPACN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(C#CCN)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,19-3)11-14(18)17-13-8-6-12(7-9-13)5-4-10-16/h6-9H,10-11,16H2,1-3H3,(H,17,18)
InChIKeyROXRZDGPHLHFMM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide

N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide (PubChem CID 103021938) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide
PubChem CID103021938
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(C#CCN)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2,19-3)11-14(18)17-13-8-6-12(7-9-13)5-4-10-16/h6-9H,10-11,16H2,1-3H3,(H,17,18)
InChIKeyROXRZDGPHLHFMM-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
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]-3-methoxy-3-methylbutanamide
CID 103021948
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
N-(4-aminophenyl)-3-methoxy-3-methylbutanamide
CID 103017558
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxy-3-methylbutanamide
CID 103021993
propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
CID 103021711
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021843
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60803408
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxybenzamide
CID 60803244
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021981
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide (CID 103021938) is N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1ccc(C#CCN)cc1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide?
The InChIKey is ROXRZDGPHLHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,19-3)11-14(18)17-13-8-6-12(7-9-13)5-4-10-16/h6-9H,10-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide?
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).