N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide

C23H27N3O3 — CID 51593533

IUPACN-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1NC(C)=O
InChIInChI=1S/C23H27N3O3/c1-14-23-18(17-6-4-5-7-19(17)25-23)10-11-26(14)13-21(28)16-8-9-22(29-3)20(12-16)24-15(2)27/h4-9,12,14,21,25,28H,10-11,13H2,1-3H3,(H,24,27)/t14-,21-/m0/s1
InChIKeyALVSYFSJMSIEOA-QKKBWIMNSA-N
MW393.49 g/mol
LogP3.79
Rot. Bonds5

About N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide

N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide (PubChem CID 51593533) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
PubChem CID51593533
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1NC(C)=O
InChIInChI=1S/C23H27N3O3/c1-14-23-18(17-6-4-5-7-19(17)25-23)10-11-26(14)13-21(28)16-8-9-22(29-3)20(12-16)24-15(2)27/h4-9,12,14,21,25,28H,10-11,13H2,1-3H3,(H,24,27)/t14-,21-/m0/s1
InChIKeyALVSYFSJMSIEOA-QKKBWIMNSA-N
XLogP3.79
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(1S)-1-hydroxy-2-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
CID 124797543
N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide
CID 46968067
1-(2,5-dimethoxyphenyl)-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanol
CID 46968066
N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
CID 46968060
(2S)-2-methoxy-1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94200995
N-[4-[[1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]phenyl]acetamide
CID 45192807
N-(2-methoxy-5-methylphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920765
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759017
N-[6-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-6-oxohexyl]acetamide
CID 51088391
4-[1-(2,2-dimethoxyethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-2-one
CID 23239772
1-methyl-2-(2-methylsulfonylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 47287679

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide (CID 51593533) is N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide is COc1ccc([C@@H](O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1NC(C)=O.
What is the InChIKey of N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide?
The InChIKey is ALVSYFSJMSIEOA-QKKBWIMNSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-23-18(17-6-4-5-7-19(17)25-23)10-11-26(14)13-21(28)16-8-9-22(29-3)20(12-16)24-15(2)27/h4-9,12,14,21,25,28H,10-11,13H2,1-3H3,(H,24,27)/t14-,21-/m0/s1.
What are the key properties of N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide?
N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 51593533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).