N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide

C19H21NO5 — CID 91789923

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C19H21NO5/c1-11-7-12(21)8-17(24-11)18(22)20-15-10-19(2,3)25-16-9-13(23-4)5-6-14(15)16/h5-9,15H,10H2,1-4H3,(H,20,22)
InChIKeyHEECBDFXWPOHRX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.99
Rot. Bonds3

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91789923) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91789923
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cc(=O)cc(C)o1
InChIInChI=1S/C19H21NO5/c1-11-7-12(21)8-17(24-11)18(22)20-15-10-19(2,3)25-16-9-13(23-4)5-6-14(15)16/h5-9,15H,10H2,1-4H3,(H,20,22)
InChIKeyHEECBDFXWPOHRX-UHFFFAOYSA-N
XLogP2.99
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 125167333
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118788171
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 50949936
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide (CID 91789923) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cc(=O)cc(C)o1.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is HEECBDFXWPOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-11-7-12(21)8-17(24-11)18(22)20-15-10-19(2,3)25-16-9-13(23-4)5-6-14(15)16/h5-9,15H,10H2,1-4H3,(H,20,22).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91789923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).