[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate

C20H28N2O4 — CID 56992399

IUPAC[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1[C@H](OC)C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@H]1C
InChIInChI=1S/C20H28N2O4/c1-7-21-19(24)26-17-12(3)20(4)10-14-11(2)18(23)22(5)15(14)8-13(20)9-16(17)25-6/h8-9,12,16-17H,7,10H2,1-6H3,(H,21,24)/t12-,16+,17+,20+/m0/s1
InChIKeyDYWHMRNFOVGICY-XZVYQEECSA-N
MW360.45 g/mol
LogP2.77
Rot. Bonds3

About [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate

[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate (PubChem CID 56992399) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate
PubChem CID56992399
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1[C@H](OC)C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@H]1C
InChIInChI=1S/C20H28N2O4/c1-7-21-19(24)26-17-12(3)20(4)10-14-11(2)18(23)22(5)15(14)8-13(20)9-16(17)25-6/h8-9,12,16-17H,7,10H2,1-6H3,(H,21,24)/t12-,16+,17+,20+/m0/s1
InChIKeyDYWHMRNFOVGICY-XZVYQEECSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate?
The IUPAC name of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate (CID 56992399) is [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate.
What is the SMILES notation for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate?
The canonical SMILES for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate is CCNC(=O)O[C@H]1[C@H](OC)C=C2C=C3C(=C(C)C(=O)N3C)C[C@]2(C)[C@H]1C.
What is the InChIKey of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate?
The InChIKey is DYWHMRNFOVGICY-XZVYQEECSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-7-21-19(24)26-17-12(3)20(4)10-14-11(2)18(23)22(5)15(14)8-13(20)9-16(17)25-6/h8-9,12,16-17H,7,10H2,1-6H3,(H,21,24)/t12-,16+,17+,20+/m0/s1.
What are the key properties of [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate?
[(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate has a molecular weight of 360.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5R,6R,7R)-7-methoxy-1,3,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f]indol-6-yl] N-ethylcarbamate is sourced from PubChem (CID 56992399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).