N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide

C20H23NO3 — CID 90535711

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCOc3ccccc32)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)8-9-24-17-7-5-4-6-16(17)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyGCFQDBHPJFBPIJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds3

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 90535711) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
PubChem CID90535711
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCOc3ccccc32)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)8-9-24-17-7-5-4-6-16(17)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyGCFQDBHPJFBPIJ-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide (CID 90535711) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2(O)CCOc3ccccc32)c(C)c1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is GCFQDBHPJFBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-10-14(2)18(15(3)11-13)19(22)21-12-20(23)8-9-24-17-7-5-4-6-16(17)20/h4-7,10-11,23H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 90535711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).