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

C14H18N2O2 — CID 107940414

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C14H18N2O2/c1-2-10-18-11-14(17)16-13-8-4-3-6-12(13)7-5-9-15/h3-4,6,8H,2,9-11,15H2,1H3,(H,16,17)
InChIKeyZVTLUNFSSGOGPT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.36
Rot. Bonds5

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

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide (PubChem CID 107940414) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
PubChem CID107940414
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccccc1C#CCN
InChIInChI=1S/C14H18N2O2/c1-2-10-18-11-14(17)16-13-8-4-3-6-12(13)7-5-9-15/h3-4,6,8H,2,9-11,15H2,1H3,(H,16,17)
InChIKeyZVTLUNFSSGOGPT-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603656
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
CID 107940419
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propylpentanamide
CID 82987618
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940393
phenyl N-[2-(3-aminoprop-1-ynyl)phenyl]carbamate
CID 60813930
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide (CID 107940414) is N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide?
The InChIKey is ZVTLUNFSSGOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-10-18-11-14(17)16-13-8-4-3-6-12(13)7-5-9-15/h3-4,6,8H,2,9-11,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide is sourced from PubChem (CID 107940414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).