2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide

C16H15NO3 — CID 43326439

IUPAC2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C16H15NO3/c1-3-8-17-16(19)11(2)20-15-7-5-12-4-6-14(18)9-13(12)10-15/h1,4-7,9-11,18H,8H2,2H3,(H,17,19)
InChIKeyBSQOVPJEPVEYAG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.06
Rot. Bonds4

About 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide

2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide (PubChem CID 43326439) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
PubChem CID43326439
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C16H15NO3/c1-3-8-17-16(19)11(2)20-15-7-5-12-4-6-14(18)9-13(12)10-15/h1,4-7,9-11,18H,8H2,2H3,(H,17,19)
InChIKeyBSQOVPJEPVEYAG-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.06
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

2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
7-butan-2-yloxynaphthalen-2-ol
CID 43143670
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
2-(7-hydroxynaphthalen-2-yl)oxy-N,N-dimethylpropanamide
CID 43143635
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
2-methyl-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915575
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158
2-(3-chloro-4-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 79823310

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide (CID 43326439) is 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc2ccc(O)cc2c1.
What is the InChIKey of 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide?
The InChIKey is BSQOVPJEPVEYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-8-17-16(19)11(2)20-15-7-5-12-4-6-14(18)9-13(12)10-15/h1,4-7,9-11,18H,8H2,2H3,(H,17,19).
What are the key properties of 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide?
2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide has a molecular weight of 269.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43326439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).