N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

C24H23NO5 — CID 7096783

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12
InChIInChI=1S/C24H23NO5/c1-13-9-19-22(23-21(13)14(2)12-29-23)15(3)17(24(28)30-19)10-20(27)25-11-18(26)16-7-5-4-6-8-16/h4-9,12,18,26H,10-11H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyTVDYYMBPWNVQOC-SFHVURJKSA-N
MW405.45 g/mol
LogP3.86
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 7096783) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
PubChem CID7096783
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12
InChIInChI=1S/C24H23NO5/c1-13-9-19-22(23-21(13)14(2)12-29-23)15(3)17(24(28)30-19)10-20(27)25-11-18(26)16-7-5-4-6-8-16/h4-9,12,18,26H,10-11H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyTVDYYMBPWNVQOC-SFHVURJKSA-N
XLogP3.86
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.86
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-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869284
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 40854926
N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4967951
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
N-[3-(dimethylamino)propyl]-2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)acetamide
CID 4869458
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869895
3-phenyl-2-[[2-(2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl)acetyl]amino]propanoic acid
CID 73256609
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
CID 6221957
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
N-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 40854906

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (CID 7096783) is N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC[C@H](O)c3ccccc3)c(C)c12.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is TVDYYMBPWNVQOC-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23NO5/c1-13-9-19-22(23-21(13)14(2)12-29-23)15(3)17(24(28)30-19)10-20(27)25-11-18(26)16-7-5-4-6-8-16/h4-9,12,18,26H,10-11H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 7096783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).