4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide

C22H25NO4 — CID 108734145

IUPAC4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C22H25NO4/c1-14-5-8-21-16(12-14)18(10-11-27-21)23-22(25)9-6-19(24)17-13-15(2)4-7-20(17)26-3/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3,(H,23,25)
InChIKeyFKJQZZFZGCEPDE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.91
Rot. Bonds6

About 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide

4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide (PubChem CID 108734145) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
PubChem CID108734145
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NC1CCOc2ccc(C)cc21
InChIInChI=1S/C22H25NO4/c1-14-5-8-21-16(12-14)18(10-11-27-21)23-22(25)9-6-19(24)17-13-15(2)4-7-20(17)26-3/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3,(H,23,25)
InChIKeyFKJQZZFZGCEPDE-UHFFFAOYSA-N
XLogP3.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
4-(4-methoxyphenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757532
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
4-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)-4-oxobutanamide
CID 108796049
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035
4-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108757527
(E)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108757483
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
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
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide (CID 108734145) is 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NC1CCOc2ccc(C)cc21.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide?
The InChIKey is FKJQZZFZGCEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-14-5-8-21-16(12-14)18(10-11-27-21)23-22(25)9-6-19(24)17-13-15(2)4-7-20(17)26-3/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3,(H,23,25).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide?
4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide has a molecular weight of 367.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-4-oxobutanamide is sourced from PubChem (CID 108734145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).