N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide

C22H27N3O2 — CID 46445607

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)N(C)C)c1
InChIInChI=1S/C22H27N3O2/c1-14-9-15(2)18-12-20(24-19(18)10-14)22(26)23-13-21(25(3)4)16-7-6-8-17(11-16)27-5/h6-12,21,24H,13H2,1-5H3,(H,23,26)
InChIKeyGNPPPOLUDRLCLY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 46445607) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID46445607
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)N(C)C)c1
InChIInChI=1S/C22H27N3O2/c1-14-9-15(2)18-12-20(24-19(18)10-14)22(26)23-13-21(25(3)4)16-7-6-8-17(11-16)27-5/h6-12,21,24H,13H2,1-5H3,(H,23,26)
InChIKeyGNPPPOLUDRLCLY-UHFFFAOYSA-N
XLogP3.83
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43045162
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51186700
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55361997
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 46429632
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-nitrobenzamide
CID 45001537

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide (CID 46445607) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide is COc1cccc(C(CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is GNPPPOLUDRLCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14-9-15(2)18-12-20(24-19(18)10-14)22(26)23-13-21(25(3)4)16-7-6-8-17(11-16)27-5/h6-12,21,24H,13H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 46445607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).