N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide

C23H29N3O — CID 90490718

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1
InChIInChI=1S/C23H29N3O/c1-15-11-16(2)22(17(3)12-15)23(27)24-13-21(25(4)5)19-14-26(6)20-10-8-7-9-18(19)20/h7-12,14,21H,13H2,1-6H3,(H,24,27)
InChIKeyIBHSYYWVDQMWPI-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide (PubChem CID 90490718) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
PubChem CID90490718
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1
InChIInChI=1S/C23H29N3O/c1-15-11-16(2)22(17(3)12-15)23(27)24-13-21(25(4)5)19-14-26(6)20-10-8-7-9-18(19)20/h7-12,14,21H,13H2,1-6H3,(H,24,27)
InChIKeyIBHSYYWVDQMWPI-UHFFFAOYSA-N
XLogP4.14
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
CID 30945646
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
CID 71780311
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90490816

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide (CID 90490718) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide?
The InChIKey is IBHSYYWVDQMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-15-11-16(2)22(17(3)12-15)23(27)24-13-21(25(4)5)19-14-26(6)20-10-8-7-9-18(19)20/h7-12,14,21H,13H2,1-6H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide has a molecular weight of 363.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 90490718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).