N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

C21H19NO6 — CID 4897686

IUPACN-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc2c1C
InChIInChI=1S/C21H19NO6/c1-11-14-5-7-16(25-3)12(2)20(14)28-21(24)15(11)9-19(23)22-13-4-6-17-18(8-13)27-10-26-17/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyCVNZREULIOVVOE-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.33
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide (PubChem CID 4897686) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
PubChem CID4897686
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc2c1C
InChIInChI=1S/C21H19NO6/c1-11-14-5-7-16(25-3)12(2)20(14)28-21(24)15(11)9-19(23)22-13-4-6-17-18(8-13)27-10-26-17/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyCVNZREULIOVVOE-UHFFFAOYSA-N
XLogP3.33
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.33
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

methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]pentanoic acid
CID 5200064
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 6237197
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113174167
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869209
N-(1,3-benzodioxol-5-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212238
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4870042
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide (CID 4897686) is N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide is COc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc2c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
The InChIKey is CVNZREULIOVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-11-14-5-7-16(25-3)12(2)20(14)28-21(24)15(11)9-19(23)22-13-4-6-17-18(8-13)27-10-26-17/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide has a molecular weight of 381.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4897686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).