N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide

C26H23NO5 — CID 4838441

IUPACN-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCC(O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C26H23NO5/c1-17-23(31-16-24(29)27-15-22(28)19-10-6-3-7-11-19)13-12-20-21(14-25(30)32-26(17)20)18-8-4-2-5-9-18/h2-14,22,28H,15-16H2,1H3,(H,27,29)
InChIKeyZQRCQEQCXIFPQX-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.00
Rot. Bonds7

About N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide

N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 4838441) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID4838441
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCC(O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C26H23NO5/c1-17-23(31-16-24(29)27-15-22(28)19-10-6-3-7-11-19)13-12-20-21(14-25(30)32-26(17)20)18-8-4-2-5-9-18/h2-14,22,28H,15-16H2,1H3,(H,27,29)
InChIKeyZQRCQEQCXIFPQX-UHFFFAOYSA-N
XLogP4.00
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.00
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-[(2R)-2-hydroxy-2-phenylethyl]-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 40825213
3-methyl-2-[[2-[[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetyl]amino]pentanoic acid
CID 3674779
N-(2-hydroxy-2-phenylethyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetamide
CID 4904438
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
CID 978425
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
5-methyl-2-[2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetyl]-1H-pyrazol-3-one
CID 46933632
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3731948
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8563690
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 4838441) is N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide is Cc1c(OCC(=O)NCC(O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is ZQRCQEQCXIFPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-17-23(31-16-24(29)27-15-22(28)19-10-6-3-7-11-19)13-12-20-21(14-25(30)32-26(17)20)18-8-4-2-5-9-18/h2-14,22,28H,15-16H2,1H3,(H,27,29).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 429.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 4838441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).