N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide

C23H25NO5 — CID 154573905

IUPACN-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide
SMILESCOc1cc2c(c(OC)c1OC)-c1cc3c(C)coc3cc1[C@@H](NC(C)=O)CC2
InChIInChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-11,18H,6-7H2,1-5H3,(H,24,25)/t18-/m0/s1
InChIKeyHZMKAKXZAUXWLJ-SFHVURJKSA-N
MW395.46 g/mol
LogP4.56
Rot. Bonds4

About N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide

N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide (PubChem CID 154573905) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide.

Molecular Properties

Compound NameN-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide
PubChem CID154573905
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC NameN-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide
SMILESCOc1cc2c(c(OC)c1OC)-c1cc3c(C)coc3cc1[C@@H](NC(C)=O)CC2
InChIInChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-11,18H,6-7H2,1-5H3,(H,24,25)/t18-/m0/s1
InChIKeyHZMKAKXZAUXWLJ-SFHVURJKSA-N
XLogP4.56
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide?
The IUPAC name of N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide (CID 154573905) is N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide.
What is the SMILES notation for N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide?
The canonical SMILES for N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide is COc1cc2c(c(OC)c1OC)-c1cc3c(C)coc3cc1[C@@H](NC(C)=O)CC2.
What is the InChIKey of N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide?
The InChIKey is HZMKAKXZAUXWLJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-11,18H,6-7H2,1-5H3,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide?
N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10S)-3,4,5-trimethoxy-16-methyl-14-oxatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,12,15,17-heptaen-10-yl]acetamide is sourced from PubChem (CID 154573905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).