N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide

C21H21NO6 — CID 41111264

IUPACN-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
SMILESCc1oc2cc(OCC(=O)NC[C@@H](C)O)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C21H21NO6/c1-13(23)11-22-19(24)12-26-16-8-9-17-18(10-16)27-14(2)21(20(17)25)28-15-6-4-3-5-7-15/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyKUVGLGHYFIOFGF-CYBMUJFWSA-N
MW383.40 g/mol
LogP2.77
Rot. Bonds7

About N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide

N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide (PubChem CID 41111264) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
PubChem CID41111264
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
SMILESCc1oc2cc(OCC(=O)NC[C@@H](C)O)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C21H21NO6/c1-13(23)11-22-19(24)12-26-16-8-9-17-18(10-16)27-14(2)21(20(17)25)28-15-6-4-3-5-7-15/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyKUVGLGHYFIOFGF-CYBMUJFWSA-N
XLogP2.77
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 45371003
(2R)-2-[[2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetyl]amino]-4-methylsulfanylbutanoic acid
CID 51819684
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
4-[7-(carboxymethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoic acid
CID 2322568
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
N-(2,4-dimethylphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenoxy)chromen-7-yl]oxyacetamide
CID 2345718
N-benzyl-2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 1193495
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
propan-2-yl 2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2005129

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide (CID 41111264) is N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide is Cc1oc2cc(OCC(=O)NC[C@@H](C)O)ccc2c(=O)c1Oc1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide?
The InChIKey is KUVGLGHYFIOFGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21NO6/c1-13(23)11-22-19(24)12-26-16-8-9-17-18(10-16)27-14(2)21(20(17)25)28-15-6-4-3-5-7-15/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide?
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide has a molecular weight of 383.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide is sourced from PubChem (CID 41111264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).