N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

C38H50N4O2 — CID 67596039

IUPACN-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCN(C)CCOc1ccc(C(c2ccccc2)c2c(C(=O)NC3CCCCCCC3)n(CCN(C)C)c3ccccc23)cc1
InChIInChI=1S/C38H50N4O2/c1-40(2)25-26-42-34-20-14-13-19-33(34)36(37(42)38(43)39-31-17-11-6-5-7-12-18-31)35(29-15-9-8-10-16-29)30-21-23-32(24-22-30)44-28-27-41(3)4/h8-10,13-16,19-24,31,35H,5-7,11-12,17-18,25-28H2,1-4H3,(H,39,43)
InChIKeyWDJSXLLVLRCCNC-UHFFFAOYSA-N
MW594.84 g/mol
LogP7.17
Rot. Bonds12

About N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (PubChem CID 67596039) has the molecular formula C38H50N4O2 and a molecular weight of 594.84 g/mol. Its IUPAC name is N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
PubChem CID67596039
Molecular FormulaC38H50N4O2
Molecular Weight594.84 g/mol
Exact Mass594.39
IUPAC NameN-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCN(C)CCOc1ccc(C(c2ccccc2)c2c(C(=O)NC3CCCCCCC3)n(CCN(C)C)c3ccccc23)cc1
InChIInChI=1S/C38H50N4O2/c1-40(2)25-26-42-34-20-14-13-19-33(34)36(37(42)38(43)39-31-17-11-6-5-7-12-18-31)35(29-15-9-8-10-16-29)30-21-23-32(24-22-30)44-28-27-41(3)4/h8-10,13-16,19-24,31,35H,5-7,11-12,17-18,25-28H2,1-4H3,(H,39,43)
InChIKeyWDJSXLLVLRCCNC-UHFFFAOYSA-N
XLogP7.17
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.84
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide 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

3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 54041218
3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide;hydrochloride
CID 67595051
3-[bis(4-methylphenyl)methyl]-1-[2-(dimethylamino)ethyl]-N-propan-2-ylindole-2-carboxamide;hydrochloride
CID 67595545
3-[bis[4-(methoxymethoxy)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 67595046
3-[[4-(2-chloroethoxy)phenyl]-phenylmethyl]-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 67595583
ethyl 3-[[4-(2-chloroethoxy)phenyl]-phenylmethyl]-1-(2-pyrrolidin-2-ylethyl)indole-2-carboxylate
CID 22440036
N-cyclooctyl-3-[phenyl-[4-(2-pyrrolidin-2-ylethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 67594225
N-cyclopentyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497379
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The IUPAC name of N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (CID 67596039) is N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The canonical SMILES for N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is CN(C)CCOc1ccc(C(c2ccccc2)c2c(C(=O)NC3CCCCCCC3)n(CCN(C)C)c3ccccc23)cc1.
What is the InChIKey of N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The InChIKey is WDJSXLLVLRCCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N4O2/c1-40(2)25-26-42-34-20-14-13-19-33(34)36(37(42)38(43)39-31-17-11-6-5-7-12-18-31)35(29-15-9-8-10-16-29)30-21-23-32(24-22-30)44-28-27-41(3)4/h8-10,13-16,19-24,31,35H,5-7,11-12,17-18,25-28H2,1-4H3,(H,39,43).
What are the key properties of N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide has a molecular weight of 594.84 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-[[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethyl]-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is sourced from PubChem (CID 67596039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).