(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one

C23H29NO4 — CID 163015039

IUPAC(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
SMILESCCC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O
InChIInChI=1S/C23H29NO4/c1-6-14-13-23-9-10-24(2)17(16(23)12-18(14)25)8-7-15-11-19(26-3)21(27-4)22(28-5)20(15)23/h11-13,17H,6-10H2,1-5H3/t17-,23+/m0/s1
InChIKeyRHTHBCVSUTVZBX-GAJHUEQPSA-N
MW383.49 g/mol
LogP3.45
Rot. Bonds4

About (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one

(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one (PubChem CID 163015039) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one.

Molecular Properties

Compound Name(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
PubChem CID163015039
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
SMILESCCC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O
InChIInChI=1S/C23H29NO4/c1-6-14-13-23-9-10-24(2)17(16(23)12-18(14)25)8-7-15-11-19(26-3)21(27-4)22(28-5)20(15)23/h11-13,17H,6-10H2,1-5H3/t17-,23+/m0/s1
InChIKeyRHTHBCVSUTVZBX-GAJHUEQPSA-N
XLogP3.45
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one?
The IUPAC name of (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one (CID 163015039) is (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one.
What is the SMILES notation for (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one?
The canonical SMILES for (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one is CCC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O.
What is the InChIKey of (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one?
The InChIKey is RHTHBCVSUTVZBX-GAJHUEQPSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-14-13-23-9-10-24(2)17(16(23)12-18(14)25)8-7-15-11-19(26-3)21(27-4)22(28-5)20(15)23/h11-13,17H,6-10H2,1-5H3/t17-,23+/m0/s1.
What are the key properties of (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one?
(1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one has a molecular weight of 383.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S)-14-ethyl-3,4,5-trimethoxy-18-methyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one is sourced from PubChem (CID 163015039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).