N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

C21H21NO6 — CID 4893034

IUPACN-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)c(OC)c1
InChIInChI=1S/C21H21NO6/c1-12-15-7-5-13(25-2)9-18(15)28-21(24)16(12)11-20(23)22-17-8-6-14(26-3)10-19(17)27-4/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyFRTONNNHUKWJDA-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.31
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 4893034) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID4893034
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)c(OC)c1
InChIInChI=1S/C21H21NO6/c1-12-15-7-5-13(25-2)9-18(15)28-21(24)16(12)11-20(23)22-17-8-6-14(26-3)10-19(17)27-4/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyFRTONNNHUKWJDA-UHFFFAOYSA-N
XLogP3.31
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
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-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4967889
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905239
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
(2R)-2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 907922
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 52899161
N-(2-hydroxy-2-phenylethyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4838654
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 39040767
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 42655892
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 75366526
N-(2,4-dimethoxyphenyl)-2-(4-oxochromen-2-yl)acetamide
CID 10735810
N-[3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708300

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 4893034) is N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1ccc(NC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is FRTONNNHUKWJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-12-15-7-5-13(25-2)9-18(15)28-21(24)16(12)11-20(23)22-17-8-6-14(26-3)10-19(17)27-4/h5-10H,11H2,1-4H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4893034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).