4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride

C21H29ClN2O4 — CID 19046560

IUPAC4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride
SMILESCCN(CCC(C(N)=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-5-23(16-9-7-6-8-10-16)12-11-17(21(22)24)15-13-18(25-2)20(27-4)19(14-15)26-3;/h6-10,13-14,17H,5,11-12H2,1-4H3,(H2,22,24);1H
InChIKeyNZJGHZVDGYDWPI-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.62
Rot. Bonds10

About 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride

4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride (PubChem CID 19046560) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride
PubChem CID19046560
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC Name4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride
SMILESCCN(CCC(C(N)=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-5-23(16-9-7-6-8-10-16)12-11-17(21(22)24)15-13-18(25-2)20(27-4)19(14-15)26-3;/h6-10,13-14,17H,5,11-12H2,1-4H3,(H2,22,24);1H
InChIKeyNZJGHZVDGYDWPI-UHFFFAOYSA-N
XLogP3.62
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
ethyl 2-phenylselanyl-2-(3,4,5-trimethoxyphenyl)acetate
CID 11395726
5-[(N-ethylanilino)methyl]-2,3-dimethoxyaniline
CID 82183962
6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
CID 67699495
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide
CID 67699861
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 10234367
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride (CID 19046560) is 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride is CCN(CCC(C(N)=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1.Cl.
What is the InChIKey of 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride?
The InChIKey is NZJGHZVDGYDWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4.ClH/c1-5-23(16-9-7-6-8-10-16)12-11-17(21(22)24)15-13-18(25-2)20(27-4)19(14-15)26-3;/h6-10,13-14,17H,5,11-12H2,1-4H3,(H2,22,24);1H.
What are the key properties of 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride?
4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 19046560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).