2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide

C20H23NO4 — CID 108734105

IUPAC2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCOc3ccc(C)cc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-13-4-6-17-15(10-13)16(8-9-25-17)21-20(22)12-14-5-7-18(23-2)19(11-14)24-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyGGCIHLAIZLZLBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 108734105) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID108734105
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCOc3ccc(C)cc32)cc1OC
InChIInChI=1S/C20H23NO4/c1-13-4-6-17-15(10-13)16(8-9-25-17)21-20(22)12-14-5-7-18(23-2)19(11-14)24-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyGGCIHLAIZLZLBE-UHFFFAOYSA-N
XLogP3.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
CID 108734145
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
(E)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108757483
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide (CID 108734105) is 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide is COc1ccc(CC(=O)NC2CCOc3ccc(C)cc32)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is GGCIHLAIZLZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-4-6-17-15(10-13)16(8-9-25-17)21-20(22)12-14-5-7-18(23-2)19(11-14)24-3/h4-7,10-11,16H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 108734105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).