2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride

C20H26ClNO4 — CID 54601247

IUPAC2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
SMILESCCN(CCO)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C20H25NO4.ClH/c1-4-21(13-14-22)19(15-5-9-17(24-2)10-6-15)20(23)16-7-11-18(25-3)12-8-16;/h5-12,19,22H,4,13-14H2,1-3H3;1H
InChIKeyOOPAWNDGFJPPCZ-UHFFFAOYSA-N
MW379.88 g/mol
LogP3.36
Rot. Bonds9

About 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride

2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride (PubChem CID 54601247) has the molecular formula C20H26ClNO4 and a molecular weight of 379.88 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
PubChem CID54601247
Molecular FormulaC20H26ClNO4
Molecular Weight379.88 g/mol
Exact Mass379.16
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride
SMILESCCN(CCO)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C20H25NO4.ClH/c1-4-21(13-14-22)19(15-5-9-17(24-2)10-6-15)20(23)16-7-11-18(25-3)12-8-16;/h5-12,19,22H,4,13-14H2,1-3H3;1H
InChIKeyOOPAWNDGFJPPCZ-UHFFFAOYSA-N
XLogP3.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-phenylphenyl)ethanone
CID 92524482
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 107481165
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
1,2-bis(4-methoxyphenyl)hexane-1,3-dione
CID 11174782
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090
(2S,3R)-2-ethyl-1,3-bis(4-methoxyphenyl)pentan-1-one
CID 124640163
1-[4-[[ethyl(2-hydroxyethyl)amino]-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69034883
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride (CID 54601247) is 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride is CCN(CCO)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.Cl.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride?
The InChIKey is OOPAWNDGFJPPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4.ClH/c1-4-21(13-14-22)19(15-5-9-17(24-2)10-6-15)20(23)16-7-11-18(25-3)12-8-16;/h5-12,19,22H,4,13-14H2,1-3H3;1H.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride?
2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride has a molecular weight of 379.88 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-1,2-bis(4-methoxyphenyl)ethanone;hydrochloride is sourced from PubChem (CID 54601247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).