2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide

C19H26N2O2 — CID 118721748

IUPAC2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide
SMILESCOc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC(N)=O)CC3
InChIInChI=1S/C19H26N2O2/c1-23-14-6-5-13-10-17-15-4-2-3-7-19(15,16(13)11-14)8-9-21(17)12-18(20)22/h5-6,11,15,17H,2-4,7-10,12H2,1H3,(H2,20,22)/t15-,17+,19+/m1/s1
InChIKeyCFDCIESTOPZZBH-AYBZRNKSSA-N
MW314.43 g/mol
LogP2.24
Rot. Bonds3

About 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide

2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide (PubChem CID 118721748) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide
PubChem CID118721748
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide
SMILESCOc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC(N)=O)CC3
InChIInChI=1S/C19H26N2O2/c1-23-14-6-5-13-10-17-15-4-2-3-7-19(15,16(13)11-14)8-9-21(17)12-18(20)22/h5-6,11,15,17H,2-4,7-10,12H2,1H3,(H2,20,22)/t15-,17+,19+/m1/s1
InChIKeyCFDCIESTOPZZBH-AYBZRNKSSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide?
The IUPAC name of 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide (CID 118721748) is 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide.
What is the SMILES notation for 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide?
The canonical SMILES for 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide is COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(CC(N)=O)CC3.
What is the InChIKey of 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide?
The InChIKey is CFDCIESTOPZZBH-AYBZRNKSSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-14-6-5-13-10-17-15-4-2-3-7-19(15,16(13)11-14)8-9-21(17)12-18(20)22/h5-6,11,15,17H,2-4,7-10,12H2,1H3,(H2,20,22)/t15-,17+,19+/m1/s1.
What are the key properties of 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide?
2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]acetamide is sourced from PubChem (CID 118721748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).