3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C20H23NO3 — CID 132651013

IUPAC3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C20H23NO3/c1-13-8-9-16-17(12-20(2,3)24-18(16)10-13)21-19(22)14-6-5-7-15(11-14)23-4/h5-11,17H,12H2,1-4H3,(H,21,22)
InChIKeyMGZBQYFILBYGFN-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.04
Rot. Bonds3

About 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132651013) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132651013
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C20H23NO3/c1-13-8-9-16-17(12-20(2,3)24-18(16)10-13)21-19(22)14-6-5-7-15(11-14)23-4/h5-11,17H,12H2,1-4H3,(H,21,22)
InChIKeyMGZBQYFILBYGFN-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
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
5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide
CID 131935068
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668421

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132651013) is 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is COc1cccc(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1.
What is the InChIKey of 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is MGZBQYFILBYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-8-9-16-17(12-20(2,3)24-18(16)10-13)21-19(22)14-6-5-7-15(11-14)23-4/h5-11,17H,12H2,1-4H3,(H,21,22).
What are the key properties of 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).