N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide

C29H41N3O2 — CID 71094835

IUPACN-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
SMILESCCOc1ccc(CC2Cc3cc(N(C)C(=O)C(C)(C)C)cnc3N2CC2CCCCC2)cc1
InChIInChI=1S/C29H41N3O2/c1-6-34-26-14-12-21(13-15-26)16-24-17-23-18-25(31(5)28(33)29(2,3)4)19-30-27(23)32(24)20-22-10-8-7-9-11-22/h12-15,18-19,22,24H,6-11,16-17,20H2,1-5H3
InChIKeyZYEUZODWNYTLGV-UHFFFAOYSA-N
MW463.67 g/mol
LogP6.04
Rot. Bonds7

About N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide

N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide (PubChem CID 71094835) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
PubChem CID71094835
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC NameN-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
SMILESCCOc1ccc(CC2Cc3cc(N(C)C(=O)C(C)(C)C)cnc3N2CC2CCCCC2)cc1
InChIInChI=1S/C29H41N3O2/c1-6-34-26-14-12-21(13-15-26)16-24-17-23-18-25(31(5)28(33)29(2,3)4)19-30-27(23)32(24)20-22-10-8-7-9-11-22/h12-15,18-19,22,24H,6-11,16-17,20H2,1-5H3
InChIKeyZYEUZODWNYTLGV-UHFFFAOYSA-N
XLogP6.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide 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

1-[1-(cyclobutylmethyl)-2-[(4-ethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-methyl-3-propan-2-ylurea
CID 11453307
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
2-[(4-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 82185878
N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
N-[1-(cyclohexylmethyl)-2-[(5-ethoxy-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide
CID 59732474
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-[(4-ethoxyphenyl)methyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331598
cyclobutanecarbonyl chloride;2-[(4-ethoxyphenyl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-5-amine;N-[2-[(4-ethoxyphenyl)methyl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-N-methylcyclobutanecarboxamide
CID 159682839
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
tert-butyl 3-(4-ethoxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171961117
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide (CID 71094835) is N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide is CCOc1ccc(CC2Cc3cc(N(C)C(=O)C(C)(C)C)cnc3N2CC2CCCCC2)cc1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The InChIKey is ZYEUZODWNYTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2/c1-6-34-26-14-12-21(13-15-26)16-24-17-23-18-25(31(5)28(33)29(2,3)4)19-30-27(23)32(24)20-22-10-8-7-9-11-22/h12-15,18-19,22,24H,6-11,16-17,20H2,1-5H3.
What are the key properties of N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide has a molecular weight of 463.67 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-2-[(4-ethoxyphenyl)methyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 71094835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).