3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide

C14H18N2O2 — CID 113476877

IUPAC3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H18N2O2/c1-3-5-11(2)16-14(17)8-9-18-13-7-4-6-12(15)10-13/h1,4,6-7,10-11H,5,8-9,15H2,2H3,(H,16,17)
InChIKeyBFAOXAWGYCFGNI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds6

About 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide

3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide (PubChem CID 113476877) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
PubChem CID113476877
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H18N2O2/c1-3-5-11(2)16-14(17)8-9-18-13-7-4-6-12(15)10-13/h1,4,6-7,10-11H,5,8-9,15H2,2H3,(H,16,17)
InChIKeyBFAOXAWGYCFGNI-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
3-(3-aminophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281064
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide (CID 113476877) is 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide is C#CCC(C)NC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide?
The InChIKey is BFAOXAWGYCFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-5-11(2)16-14(17)8-9-18-13-7-4-6-12(15)10-13/h1,4,6-7,10-11H,5,8-9,15H2,2H3,(H,16,17).
What are the key properties of 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide?
3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide is sourced from PubChem (CID 113476877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).