N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C19H21NO4 — CID 44515635

IUPACN-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCc3cc(C)ccc3O2)cc(OC)c1
InChIInChI=1S/C19H21NO4/c1-12-4-6-17-13(8-12)5-7-18(24-17)19(21)20-14-9-15(22-2)11-16(10-14)23-3/h4,6,8-11,18H,5,7H2,1-3H3,(H,20,21)
InChIKeyBIDHVQGBPPEASL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.34
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 44515635) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID44515635
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCc3cc(C)ccc3O2)cc(OC)c1
InChIInChI=1S/C19H21NO4/c1-12-4-6-17-13(8-12)5-7-18(24-17)19(21)20-14-9-15(22-2)11-16(10-14)23-3/h4,6,8-11,18H,5,7H2,1-3H3,(H,20,21)
InChIKeyBIDHVQGBPPEASL-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 44515635) is N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is COc1cc(NC(=O)C2CCc3cc(C)ccc3O2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is BIDHVQGBPPEASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-4-6-17-13(8-12)5-7-18(24-17)19(21)20-14-9-15(22-2)11-16(10-14)23-3/h4,6,8-11,18H,5,7H2,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 44515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).