3-(4-aminophenoxy)-N-pent-4-ynylpropanamide

C14H18N2O2 — CID 106219813

IUPAC3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-10-16-14(17)9-11-18-13-7-5-12(15)6-8-13/h1,5-8H,3-4,9-11,15H2,(H,16,17)
InChIKeyRXOPUHDDASCBDC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds7

About 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide

3-(4-aminophenoxy)-N-pent-4-ynylpropanamide (PubChem CID 106219813) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
PubChem CID106219813
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-2-3-4-10-16-14(17)9-11-18-13-7-5-12(15)6-8-13/h1,5-8H,3-4,9-11,15H2,(H,16,17)
InChIKeyRXOPUHDDASCBDC-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 106332599
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide (CID 106219813) is 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide is C#CCCCNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide?
The InChIKey is RXOPUHDDASCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-4-10-16-14(17)9-11-18-13-7-5-12(15)6-8-13/h1,5-8H,3-4,9-11,15H2,(H,16,17).
What are the key properties of 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide?
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-pent-4-ynylpropanamide is sourced from PubChem (CID 106219813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).