N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide

C22H25NO7 — CID 541291

IUPACN-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide
SMILESCOc1cc2c(c(OC)c1OC)C13C=CC(OC)(O1)C(=O)C=C3C(NC(C)=O)CC2
InChIInChI=1S/C22H25NO7/c1-12(24)23-15-7-6-13-10-16(26-2)19(27-3)20(28-4)18(13)21-8-9-22(29-5,30-21)17(25)11-14(15)21/h8-11,15H,6-7H2,1-5H3,(H,23,24)
InChIKeyYOEMNGTWNPPXCM-UHFFFAOYSA-N
MW415.44 g/mol
LogP1.80
Rot. Bonds5

About N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide

N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide (PubChem CID 541291) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide.

Molecular Properties

Compound NameN-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide
PubChem CID541291
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC NameN-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide
SMILESCOc1cc2c(c(OC)c1OC)C13C=CC(OC)(O1)C(=O)C=C3C(NC(C)=O)CC2
InChIInChI=1S/C22H25NO7/c1-12(24)23-15-7-6-13-10-16(26-2)19(27-3)20(28-4)18(13)21-8-9-22(29-5,30-21)17(25)11-14(15)21/h8-11,15H,6-7H2,1-5H3,(H,23,24)
InChIKeyYOEMNGTWNPPXCM-UHFFFAOYSA-N
XLogP1.80
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide with MolForge

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Related Compounds

N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 18397
N-[(7S)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;hydrochloride
CID 52944177
calcium;hydride;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 174772575
N-(11-iodo-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
CID 177117971
methyl (1S,2S)-1'-hydroxy-6,7,8-trimethoxy-6'-oxospiro[3,4-dihydro-2H-naphthalene-1,3'-cyclohexa-1,4-diene]-2-carboxylate
CID 132518284
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 174948029
N-[(7S)-1,2,3-trimethoxy-10-(114C)methoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 91872617
N-[(7S)-10-ethylsulfinyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 10694644
N-[(10S)-3,4,5,14-tetramethoxy-13-oxo-10-tetracyclo[9.5.0.02,7.012,16]hexadeca-1(11),2,4,6-tetraenyl]acetamide
CID 10046607
N-(6-hydroxy-5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide
CID 11188363
N-[1,2,3-trimethoxy-10-[(3-methoxyphenyl)methylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 4837102
N-[(7S)-1,2,3-trimethoxy-10-oxo-9-phenyl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 10456180

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide?
The IUPAC name of N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide (CID 541291) is N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide.
What is the SMILES notation for N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide?
The canonical SMILES for N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide is COc1cc2c(c(OC)c1OC)C13C=CC(OC)(O1)C(=O)C=C3C(NC(C)=O)CC2.
What is the InChIKey of N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide?
The InChIKey is YOEMNGTWNPPXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-12(24)23-15-7-6-13-10-16(26-2)19(27-3)20(28-4)18(13)21-8-9-22(29-5,30-21)17(25)11-14(15)21/h8-11,15H,6-7H2,1-5H3,(H,23,24).
What are the key properties of N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide?
N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide has a molecular weight of 415.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-2,4,6,11,15-pentaen-10-yl)acetamide is sourced from PubChem (CID 541291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).