2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide

C23H29N3O3 — CID 11668383

IUPAC2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide
SMILESCOc1ccc2c(c1OCC(N)=O)CCN1C[C@@H](c3cccc(C)c3)[C@H](N)CC21
InChIInChI=1S/C23H29N3O3/c1-14-4-3-5-15(10-14)18-12-26-9-8-17-16(20(26)11-19(18)24)6-7-21(28-2)23(17)29-13-22(25)27/h3-7,10,18-20H,8-9,11-13,24H2,1-2H3,(H2,25,27)/t18-,19+,20?/m0/s1
InChIKeyDMDZKPLXNQHSIG-ABZYKWASSA-N
MW395.50 g/mol
LogP2.28
Rot. Bonds5

About 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide

2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide (PubChem CID 11668383) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide
PubChem CID11668383
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide
SMILESCOc1ccc2c(c1OCC(N)=O)CCN1C[C@@H](c3cccc(C)c3)[C@H](N)CC21
InChIInChI=1S/C23H29N3O3/c1-14-4-3-5-15(10-14)18-12-26-9-8-17-16(20(26)11-19(18)24)6-7-21(28-2)23(17)29-13-22(25)27/h3-7,10,18-20H,8-9,11-13,24H2,1-2H3,(H2,25,27)/t18-,19+,20?/m0/s1
InChIKeyDMDZKPLXNQHSIG-ABZYKWASSA-N
XLogP2.28
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide?
The IUPAC name of 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide (CID 11668383) is 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide.
What is the SMILES notation for 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide?
The canonical SMILES for 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide is COc1ccc2c(c1OCC(N)=O)CCN1C[C@@H](c3cccc(C)c3)[C@H](N)CC21.
What is the InChIKey of 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide?
The InChIKey is DMDZKPLXNQHSIG-ABZYKWASSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-14-4-3-5-15(10-14)18-12-26-9-8-17-16(20(26)11-19(18)24)6-7-21(28-2)23(17)29-13-22(25)27/h3-7,10,18-20H,8-9,11-13,24H2,1-2H3,(H2,25,27)/t18-,19+,20?/m0/s1.
What are the key properties of 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide?
2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-2-amino-9-methoxy-3-(3-methylphenyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-yl]oxy]acetamide is sourced from PubChem (CID 11668383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).