N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

C22H23NO7 — CID 42648681

IUPACN-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOCC(O)CNC(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C22H23NO7/c1-27-12-16(24)11-23-20(25)13-29-17-8-6-14(7-9-17)18-10-15-4-3-5-19(28-2)21(15)30-22(18)26/h3-10,16,24H,11-13H2,1-2H3,(H,23,25)
InChIKeyQEBKKVDQOHPFRD-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.97
Rot. Bonds9

About N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (PubChem CID 42648681) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
PubChem CID42648681
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
SMILESCOCC(O)CNC(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1
InChIInChI=1S/C22H23NO7/c1-27-12-16(24)11-23-20(25)13-29-17-8-6-14(7-9-17)18-10-15-4-3-5-19(28-2)21(15)30-22(18)26/h3-10,16,24H,11-13H2,1-2H3,(H,23,25)
InChIKeyQEBKKVDQOHPFRD-UHFFFAOYSA-N
XLogP1.97
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 42507195
8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
CID 29126866
3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
N-(2,2-dimethyloxan-4-yl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide
CID 56763657
8-methoxy-3-phenylchromen-2-one
CID 2195449
3-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-8-methoxychromen-2-one
CID 3430818
2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 41118398
3-(4-butoxybenzoyl)-8-methoxychromen-2-one
CID 53353118
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
CID 807442
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide (CID 42648681) is N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is COCC(O)CNC(=O)COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
The InChIKey is QEBKKVDQOHPFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-27-12-16(24)11-23-20(25)13-29-17-8-6-14(7-9-17)18-10-15-4-3-5-19(28-2)21(15)30-22(18)26/h3-10,16,24H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide?
N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide has a molecular weight of 413.43 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-[4-(8-methoxy-2-oxochromen-3-yl)phenoxy]acetamide is sourced from PubChem (CID 42648681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).