2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide

C14H17NO3 — CID 43504220

IUPAC2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cccc(C(C)O)c1
InChIInChI=1S/C14H17NO3/c1-4-8-15-14(17)11(3)18-13-7-5-6-12(9-13)10(2)16/h1,5-7,9-11,16H,8H2,2-3H3,(H,15,17)
InChIKeyDKBWCLXDYFNJBO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.26
Rot. Bonds5

About 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide

2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 43504220) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID43504220
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cccc(C(C)O)c1
InChIInChI=1S/C14H17NO3/c1-4-8-15-14(17)11(3)18-13-7-5-6-12(9-13)10(2)16/h1,5-7,9-11,16H,8H2,2-3H3,(H,15,17)
InChIKeyDKBWCLXDYFNJBO-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.26
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

N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190064
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-(3-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 84584773
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
CID 43326439
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide (CID 43504220) is 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1cccc(C(C)O)c1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is DKBWCLXDYFNJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-8-15-14(17)11(3)18-13-7-5-6-12(9-13)10(2)16/h1,5-7,9-11,16H,8H2,2-3H3,(H,15,17).
What are the key properties of 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 247.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43504220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).