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

C24H29N3O3 — CID 46968067

IUPACN-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(C(O)CN2CCc3c([nH]c4ccccc34)C2C)ccc1OC
InChIInChI=1S/C24H29N3O3/c1-4-23(29)25-20-13-16(9-10-22(20)30-3)21(28)14-27-12-11-18-17-7-5-6-8-19(17)26-24(18)15(27)2/h5-10,13,15,21,26,28H,4,11-12,14H2,1-3H3,(H,25,29)
InChIKeyNIGKHVSYIHGVFF-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.18
Rot. Bonds6

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

N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide (PubChem CID 46968067) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide
PubChem CID46968067
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(C(O)CN2CCc3c([nH]c4ccccc34)C2C)ccc1OC
InChIInChI=1S/C24H29N3O3/c1-4-23(29)25-20-13-16(9-10-22(20)30-3)21(28)14-27-12-11-18-17-7-5-6-8-19(17)26-24(18)15(27)2/h5-10,13,15,21,26,28H,4,11-12,14H2,1-3H3,(H,25,29)
InChIKeyNIGKHVSYIHGVFF-UHFFFAOYSA-N
XLogP4.18
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.18
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-[(1R)-1-hydroxy-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-2-methoxyphenyl]acetamide
CID 51593533
1-(2,5-dimethoxyphenyl)-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanol
CID 46968066
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
N-(2-methoxy-5-methylphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920765
(2S)-2-methoxy-1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94200995
N-[5-[1-hydroxy-2-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-2-methoxyphenyl]acetamide
CID 46968060
(1S)-N-(2-methoxyethyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94676881
2-butyl-1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 10451427
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759017
2-[1-(2,5-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 44761897
methyl (1S)-1-(3-methoxy-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 102517695

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide?
The IUPAC name of N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide (CID 46968067) is N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide is CCC(=O)Nc1cc(C(O)CN2CCc3c([nH]c4ccccc34)C2C)ccc1OC.
What is the InChIKey of N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide?
The InChIKey is NIGKHVSYIHGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-23(29)25-20-13-16(9-10-22(20)30-3)21(28)14-27-12-11-18-17-7-5-6-8-19(17)26-24(18)15(27)2/h5-10,13,15,21,26,28H,4,11-12,14H2,1-3H3,(H,25,29).
What are the key properties of N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide?
N-[5-[1-hydroxy-2-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 4.18, 6 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-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-2-methoxyphenyl]propanamide is sourced from PubChem (CID 46968067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).