N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide

C27H32N4O3 — CID 136886928

IUPACN-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2c(O)n(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc23)cc1
InChIInChI=1S/C27H32N4O3/c1-26(2)13-19-14-27(3,15-26)16-30(19)17-31-22-8-6-5-7-21(22)23(25(31)33)28-29-24(32)18-9-11-20(34-4)12-10-18/h5-12,19,33H,13-17H2,1-4H3/b29-28+/t19-,27+/m1/s1
InChIKeyAJQXLYIBRJLTJG-LNZQVZBISA-N
MW460.58 g/mol
LogP6.14
Rot. Bonds5

About N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide

N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide (PubChem CID 136886928) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide
PubChem CID136886928
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)/N=N/c2c(O)n(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc23)cc1
InChIInChI=1S/C27H32N4O3/c1-26(2)13-19-14-27(3,15-26)16-30(19)17-31-22-8-6-5-7-21(22)23(25(31)33)28-29-24(32)18-9-11-20(34-4)12-10-18/h5-12,19,33H,13-17H2,1-4H3/b29-28+/t19-,27+/m1/s1
InChIKeyAJQXLYIBRJLTJG-LNZQVZBISA-N
XLogP6.14
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-hydroxy-1-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]iminobenzamide
CID 135882517
N-[5-bromo-2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide
CID 136806360
N-[2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-2-methoxybenzamide
CID 136806368
N-[2-hydroxy-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
CID 5030424
N-[5-bromo-2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-3,4-dimethoxybenzamide
CID 136830724
N-[5-bromo-2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-3,4-dimethoxybenzamide
CID 136836724
N-[5-bromo-2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-fluorobenzamide
CID 136824867
N-[5-bromo-2-hydroxy-1-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-fluorobenzamide
CID 136824868
2-[(Z)-benzylideneamino]oxy-N-[2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]iminoacetamide
CID 136806356
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[2-hydroxy-1-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]indol-3-yl]iminoacetamide
CID 135648329
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[2-hydroxy-1-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]iminoacetamide
CID 136856631

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide?
The IUPAC name of N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide (CID 136886928) is N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide?
The canonical SMILES for N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide is COc1ccc(C(=O)/N=N/c2c(O)n(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc23)cc1.
What is the InChIKey of N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide?
The InChIKey is AJQXLYIBRJLTJG-LNZQVZBISA-N. The full InChI is InChI=1S/C27H32N4O3/c1-26(2)13-19-14-27(3,15-26)16-30(19)17-31-22-8-6-5-7-21(22)23(25(31)33)28-29-24(32)18-9-11-20(34-4)12-10-18/h5-12,19,33H,13-17H2,1-4H3/b29-28+/t19-,27+/m1/s1.
What are the key properties of N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide?
N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide has a molecular weight of 460.58 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide is sourced from PubChem (CID 136886928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).