1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide

C23H28ClN3O3 — CID 166181594

IUPAC1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H28ClN3O3/c1-23(29,16-26(2)3)15-25-22(28)18-14-27(20-10-6-4-8-17(18)20)12-13-30-21-11-7-5-9-19(21)24/h4-11,14,29H,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyYIOLOYFKPJEYRZ-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.42
Rot. Bonds9

About 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide

1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide (PubChem CID 166181594) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide
PubChem CID166181594
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C23H28ClN3O3/c1-23(29,16-26(2)3)15-25-22(28)18-14-27(20-10-6-4-8-17(18)20)12-13-30-21-11-7-5-9-19(21)24/h4-11,14,29H,12-13,15-16H2,1-3H3,(H,25,28)
InChIKeyYIOLOYFKPJEYRZ-UHFFFAOYSA-N
XLogP3.42
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839802
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2-methylphenoxy)propanamide
CID 103839511
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380764
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide (CID 166181594) is 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide is CN(C)CC(C)(O)CNC(=O)c1cn(CCOc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide?
The InChIKey is YIOLOYFKPJEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-23(29,16-26(2)3)15-25-22(28)18-14-27(20-10-6-4-8-17(18)20)12-13-30-21-11-7-5-9-19(21)24/h4-11,14,29H,12-13,15-16H2,1-3H3,(H,25,28).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide?
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]indole-3-carboxamide is sourced from PubChem (CID 166181594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).