N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

C19H25NO7 — CID 3146282

IUPACN-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCOc1ccc(NC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1
InChIInChI=1S/C19H25NO7/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(21)20-10-6-8-11(22-5)9-7-10/h6-9,12-15,17H,1-5H3,(H,20,21)
InChIKeyKFZYDHPFDNHXGN-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.03
Rot. Bonds3

About N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (PubChem CID 3146282) has the molecular formula C19H25NO7 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
PubChem CID3146282
Molecular FormulaC19H25NO7
Molecular Weight379.41 g/mol
Exact Mass379.16
IUPAC NameN-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCOc1ccc(NC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1
InChIInChI=1S/C19H25NO7/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(21)20-10-6-8-11(22-5)9-7-10/h6-9,12-15,17H,1-5H3,(H,20,21)
InChIKeyKFZYDHPFDNHXGN-UHFFFAOYSA-N
XLogP2.03
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (CID 3146282) is N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is COc1ccc(NC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The InChIKey is KFZYDHPFDNHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO7/c1-18(2)24-12-13(25-18)15-17(27-19(3,4)26-15)23-14(12)16(21)20-10-6-8-11(22-5)9-7-10/h6-9,12-15,17H,1-5H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is sourced from PubChem (CID 3146282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).