1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide

C21H25NO3 — CID 156715827

IUPAC1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1c(cc(C)c(C(=O)NC(C)C)c1O)OC2(C)C
InChIInChI=1S/C21H25NO3/c1-11(2)22-20(24)17-13(4)10-16-18(19(17)23)14-9-12(3)7-8-15(14)21(5,6)25-16/h7-11,23H,1-6H3,(H,22,24)
InChIKeyDDCLHDHLZIOBNV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.44
Rot. Bonds2

About 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide

1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide (PubChem CID 156715827) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide
PubChem CID156715827
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1c(cc(C)c(C(=O)NC(C)C)c1O)OC2(C)C
InChIInChI=1S/C21H25NO3/c1-11(2)22-20(24)17-13(4)10-16-18(19(17)23)14-9-12(3)7-8-15(14)21(5,6)25-16/h7-11,23H,1-6H3,(H,22,24)
InChIKeyDDCLHDHLZIOBNV-UHFFFAOYSA-N
XLogP4.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide?
The IUPAC name of 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide (CID 156715827) is 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide?
The canonical SMILES for 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide is Cc1ccc2c(c1)-c1c(cc(C)c(C(=O)NC(C)C)c1O)OC2(C)C.
What is the InChIKey of 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide?
The InChIKey is DDCLHDHLZIOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-11(2)22-20(24)17-13(4)10-16-18(19(17)23)14-9-12(3)7-8-15(14)21(5,6)25-16/h7-11,23H,1-6H3,(H,22,24).
What are the key properties of 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide?
1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide is sourced from PubChem (CID 156715827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).