N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide

C22H27N3O3 — CID 90490740

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-24(2)21(19-14-25(3)20-9-7-6-8-18(19)20)13-23-22(26)15-10-16(27-4)12-17(11-15)28-5/h6-12,14,21H,13H2,1-5H3,(H,23,26)
InChIKeyWENIGMUZFVQSGN-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 90490740) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID90490740
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-24(2)21(19-14-25(3)20-9-7-6-8-18(19)20)13-23-22(26)15-10-16(27-4)12-17(11-15)28-5/h6-12,14,21H,13H2,1-5H3,(H,23,26)
InChIKeyWENIGMUZFVQSGN-UHFFFAOYSA-N
XLogP3.23
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-methylbenzamide
CID 90490695
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 71780355
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide (CID 90490740) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is WENIGMUZFVQSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(2)21(19-14-25(3)20-9-7-6-8-18(19)20)13-23-22(26)15-10-16(27-4)12-17(11-15)28-5/h6-12,14,21H,13H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 90490740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).