N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide

C20H19NO5 — CID 51808629

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
SMILESC[C@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H19NO5/c1-13(11-22)21-19(23)12-25-16-8-6-14(7-9-16)17-10-15-4-2-3-5-18(15)26-20(17)24/h2-10,13,22H,11-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyMWKDAISBDAMQSS-CYBMUJFWSA-N
MW353.37 g/mol
LogP2.34
Rot. Bonds6

About N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide

N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide (PubChem CID 51808629) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
PubChem CID51808629
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
SMILESC[C@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H19NO5/c1-13(11-22)21-19(23)12-25-16-8-6-14(7-9-16)17-10-15-4-2-3-5-18(15)26-20(17)24/h2-10,13,22H,11-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyMWKDAISBDAMQSS-CYBMUJFWSA-N
XLogP2.34
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
methyl (2S)-2-[4-(2-oxochromen-3-yl)phenoxy]propanoate
CID 42155073
2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
CID 23966257
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
N-(1,1-dioxothiolan-3-yl)-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
CID 42650118
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
CID 42536387
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxochromene-3-carboxylate
CID 7831281
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide (CID 51808629) is N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide is C[C@H](CO)NC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide?
The InChIKey is MWKDAISBDAMQSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13(11-22)21-19(23)12-25-16-8-6-14(7-9-16)17-10-15-4-2-3-5-18(15)26-20(17)24/h2-10,13,22H,11-12H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide has a molecular weight of 353.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide is sourced from PubChem (CID 51808629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).