2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide

C20H19NO5 — CID 6221957

IUPAC2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
SMILESCc1c(CC(=O)NC(C)c2ccccc2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C20H19NO5/c1-11-15(10-18(24)21-12(2)13-6-4-3-5-7-13)20(25)26-17-9-14(22)8-16(23)19(11)17/h3-9,12,22-23H,10H2,1-2H3,(H,21,24)
InChIKeyAAKLBYADUMCVCY-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.93
Rot. Bonds4

About 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 6221957) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID6221957
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
SMILESCc1c(CC(=O)NC(C)c2ccccc2)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C20H19NO5/c1-11-15(10-18(24)21-12(2)13-6-4-3-5-7-13)20(25)26-17-9-14(22)8-16(23)19(11)17/h3-9,12,22-23H,10H2,1-2H3,(H,21,24)
InChIKeyAAKLBYADUMCVCY-UHFFFAOYSA-N
XLogP2.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6221952
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816600
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816601
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 6226446
N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237529
(2S,3R)-2-[[2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 6352141
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide (CID 6221957) is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide is Cc1c(CC(=O)NC(C)c2ccccc2)c(=O)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is AAKLBYADUMCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-11-15(10-18(24)21-12(2)13-6-4-3-5-7-13)20(25)26-17-9-14(22)8-16(23)19(11)17/h3-9,12,22-23H,10H2,1-2H3,(H,21,24).
What are the key properties of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide?
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 353.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6221957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).