N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

C21H21NO6 — CID 6236159

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)c(OC)c1
InChIInChI=1S/C21H21NO6/c1-12-16-7-5-14(23)8-19(16)28-21(25)17(12)10-20(24)22-11-13-4-6-15(26-2)9-18(13)27-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyMFTXHKISMCULTD-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.68
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6236159) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6236159
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)c(OC)c1
InChIInChI=1S/C21H21NO6/c1-12-16-7-5-14(23)8-19(16)28-21(25)17(12)10-20(24)22-11-13-4-6-15(26-2)9-18(13)27-3/h4-9,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyMFTXHKISMCULTD-UHFFFAOYSA-N
XLogP2.68
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
(2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 5417125
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6236159) is N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is MFTXHKISMCULTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-12-16-7-5-14(23)8-19(16)28-21(25)17(12)10-20(24)22-11-13-4-6-15(26-2)9-18(13)27-3/h4-9,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6236159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).