N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide

C17H24N2O2 — CID 62715999

IUPACN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(C)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H24N2O2/c1-3-12-21-13-10-17(20)19-14(2)16-8-6-15(7-9-16)5-4-11-18/h6-9,14H,3,10-13,18H2,1-2H3,(H,19,20)
InChIKeyKEFUMLWLMVIQBD-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds7

About N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide

N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide (PubChem CID 62715999) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide
PubChem CID62715999
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(C)c1ccc(C#CCN)cc1
InChIInChI=1S/C17H24N2O2/c1-3-12-21-13-10-17(20)19-14(2)16-8-6-15(7-9-16)5-4-11-18/h6-9,14H,3,10-13,18H2,1-2H3,(H,19,20)
InChIKeyKEFUMLWLMVIQBD-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
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-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103165283
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-propoxypropanamide
CID 62717535
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide?
The IUPAC name of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide (CID 62715999) is N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide.
What is the SMILES notation for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide?
The canonical SMILES for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide is CCCOCCC(=O)NC(C)c1ccc(C#CCN)cc1.
What is the InChIKey of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide?
The InChIKey is KEFUMLWLMVIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-12-21-13-10-17(20)19-14(2)16-8-6-15(7-9-16)5-4-11-18/h6-9,14H,3,10-13,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide?
N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide has a molecular weight of 288.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-aminoprop-1-ynyl)phenyl]ethyl]-3-propoxypropanamide is sourced from PubChem (CID 62715999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).