N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide

C23H27N3O3 — CID 46968060

IUPACN-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(O)CN2CCc3[nH]c4c(C)cccc4c3C2)cc1NC(C)=O
InChIInChI=1S/C23H27N3O3/c1-14-5-4-6-17-18-12-26(10-9-19(18)25-23(14)17)13-21(28)16-7-8-22(29-3)20(11-16)24-15(2)27/h4-8,11,21,25,28H,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyNBWMUZACSPDKFR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.54
Rot. Bonds5

About N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide

N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide (PubChem CID 46968060) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
PubChem CID46968060
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(O)CN2CCc3[nH]c4c(C)cccc4c3C2)cc1NC(C)=O
InChIInChI=1S/C23H27N3O3/c1-14-5-4-6-17-18-12-26(10-9-19(18)25-23(14)17)13-21(28)16-7-8-22(29-3)20(11-16)24-15(2)27/h4-8,11,21,25,28H,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyNBWMUZACSPDKFR-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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

(1R)-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-thiophen-2-ylethanol
CID 51586804
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-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593533
N-[5-[(1R)-1-hydroxy-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593135
N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide
CID 46968067
N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 154379633
N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
CID 97232152
6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 45213585
2-ethyl-1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 110667883
cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide (CID 46968060) is N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide is COc1ccc(C(O)CN2CCc3[nH]c4c(C)cccc4c3C2)cc1NC(C)=O.
What is the InChIKey of N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide?
The InChIKey is NBWMUZACSPDKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-5-4-6-17-18-12-26(10-9-19(18)25-23(14)17)13-21(28)16-7-8-22(29-3)20(11-16)24-15(2)27/h4-8,11,21,25,28H,9-10,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide?
N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 46968060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).