N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane

C21H23NO4 — CID 144546170

IUPACN-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
SMILESCC.COc1ccccc1C(=O)Nc1ccc2oc(=O)c(C)c(C)c2c1
InChIInChI=1S/C19H17NO4.C2H6/c1-11-12(2)19(22)24-17-9-8-13(10-15(11)17)20-18(21)14-6-4-5-7-16(14)23-3;1-2/h4-10H,1-3H3,(H,20,21);1-2H3
InChIKeyJQQMRHYBSINPPU-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.70
Rot. Bonds3

About N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane

N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane (PubChem CID 144546170) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
PubChem CID144546170
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
SMILESCC.COc1ccccc1C(=O)Nc1ccc2oc(=O)c(C)c(C)c2c1
InChIInChI=1S/C19H17NO4.C2H6/c1-11-12(2)19(22)24-17-9-8-13(10-15(11)17)20-18(21)14-6-4-5-7-16(14)23-3;1-2/h4-10H,1-3H3,(H,20,21);1-2H3
InChIKeyJQQMRHYBSINPPU-UHFFFAOYSA-N
XLogP4.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
2-bromo-N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-5-yl]benzamide
CID 26773563
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367
N-(3-methyl-2-oxochromen-6-yl)-2-propan-2-yloxybenzamide
CID 90364375
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
4-[(2-methoxybenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139945406

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane?
The IUPAC name of N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane (CID 144546170) is N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane.
What is the SMILES notation for N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane?
The canonical SMILES for N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane is CC.COc1ccccc1C(=O)Nc1ccc2oc(=O)c(C)c(C)c2c1.
What is the InChIKey of N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane?
The InChIKey is JQQMRHYBSINPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4.C2H6/c1-11-12(2)19(22)24-17-9-8-13(10-15(11)17)20-18(21)14-6-4-5-7-16(14)23-3;1-2/h4-10H,1-3H3,(H,20,21);1-2H3.
What are the key properties of N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane?
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane has a molecular weight of 353.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane is sourced from PubChem (CID 144546170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).