4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride

C22H28ClN3O3 — CID 119267144

IUPAC4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
SMILESCOc1cccc(C(CNC(=O)CCCN)c2c[nH]c3ccccc23)c1OC.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-27-20-10-5-8-16(22(20)28-2)18(14-25-21(26)11-6-12-23)17-13-24-19-9-4-3-7-15(17)19;/h3-5,7-10,13,18,24H,6,11-12,14,23H2,1-2H3,(H,25,26);1H
InChIKeySFGLZZCVJZQMCZ-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.59
Rot. Bonds9

About 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride

4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride (PubChem CID 119267144) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
PubChem CID119267144
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride
SMILESCOc1cccc(C(CNC(=O)CCCN)c2c[nH]c3ccccc23)c1OC.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-27-20-10-5-8-16(22(20)28-2)18(14-25-21(26)11-6-12-23)17-13-24-19-9-4-3-7-15(17)19;/h3-5,7-10,13,18,24H,6,11-12,14,23H2,1-2H3,(H,25,26);1H
InChIKeySFGLZZCVJZQMCZ-UHFFFAOYSA-N
XLogP3.59
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
ethyl N-[3-[[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 46445794
3-cyclohexyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 43003981
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
3-(4-bromophenyl)-3-(carbamoylamino)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 42953418
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 55413647
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-2-methoxybenzamide
CID 55512740

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride (CID 119267144) is 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride is COc1cccc(C(CNC(=O)CCCN)c2c[nH]c3ccccc23)c1OC.Cl.
What is the InChIKey of 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride?
The InChIKey is SFGLZZCVJZQMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-27-20-10-5-8-16(22(20)28-2)18(14-25-21(26)11-6-12-23)17-13-24-19-9-4-3-7-15(17)19;/h3-5,7-10,13,18,24H,6,11-12,14,23H2,1-2H3,(H,25,26);1H.
What are the key properties of 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119267144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).