2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide

C14H17NO3 — CID 55190391

IUPAC2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H17NO3/c1-3-9-15-14(17)10-18-13-8-6-5-7-11(13)12(16)4-2/h1,5-8,12,16H,4,9-10H2,2H3,(H,15,17)/t12-/m0/s1
InChIKeyKMTDZFKNFBTWEW-LBPRGKRZSA-N
MW247.29 g/mol
LogP1.26
Rot. Bonds6

About 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide

2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide (PubChem CID 55190391) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
PubChem CID55190391
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H17NO3/c1-3-9-15-14(17)10-18-13-8-6-5-7-11(13)12(16)4-2/h1,5-8,12,16H,4,9-10H2,2H3,(H,15,17)/t12-/m0/s1
InChIKeyKMTDZFKNFBTWEW-LBPRGKRZSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(cyanomethyl)-2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503572
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 55190392
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489531
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
CID 9017984
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylacetamide
CID 55068634
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78932178

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide (CID 55190391) is 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccccc1[C@@H](O)CC.
What is the InChIKey of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is KMTDZFKNFBTWEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-9-15-14(17)10-18-13-8-6-5-7-11(13)12(16)4-2/h1,5-8,12,16H,4,9-10H2,2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide?
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 247.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 55190391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).