4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide

C21H25NO4 — CID 133202467

IUPAC4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H25NO4/c1-13-10-14(6-9-18(13)25-5)20(23)22-17-12-21(2,3)26-19-11-15(24-4)7-8-16(17)19/h6-11,17H,12H2,1-5H3,(H,22,23)
InChIKeyWELRLQDESYTJAD-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.04
Rot. Bonds4

About 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide

4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide (PubChem CID 133202467) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
PubChem CID133202467
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H25NO4/c1-13-10-14(6-9-18(13)25-5)20(23)22-17-12-21(2,3)26-19-11-15(24-4)7-8-16(17)19/h6-11,17H,12H2,1-5H3,(H,22,23)
InChIKeyWELRLQDESYTJAD-UHFFFAOYSA-N
XLogP4.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
CID 91789923
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 50949936
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 125167333
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
3,4-dimethoxy-N-[(Z)-3-[[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100593771

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide (CID 133202467) is 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide?
The InChIKey is WELRLQDESYTJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-13-10-14(6-9-18(13)25-5)20(23)22-17-12-21(2,3)26-19-11-15(24-4)7-8-16(17)19/h6-11,17H,12H2,1-5H3,(H,22,23).
What are the key properties of 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide?
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide has a molecular weight of 355.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide is sourced from PubChem (CID 133202467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).