N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide

C20H24Cl2N2O3 — CID 99787158

IUPACN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
SMILESCN(C)CCOc1cccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O3/c1-24(2)9-10-27-15-6-3-5-14(11-15)12-19(26)23-13-18(25)20-16(21)7-4-8-17(20)22/h3-8,11,18,25H,9-10,12-13H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyFDOSJTZLTNLAAO-GOSISDBHSA-N
MW411.33 g/mol
LogP3.33
Rot. Bonds9

About N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide

N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide (PubChem CID 99787158) has the molecular formula C20H24Cl2N2O3 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
PubChem CID99787158
Molecular FormulaC20H24Cl2N2O3
Molecular Weight411.33 g/mol
Exact Mass410.12
IUPAC NameN-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
SMILESCN(C)CCOc1cccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C20H24Cl2N2O3/c1-24(2)9-10-27-15-6-3-5-14(11-15)12-19(26)23-13-18(25)20-16(21)7-4-8-17(20)22/h3-8,11,18,25H,9-10,12-13H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyFDOSJTZLTNLAAO-GOSISDBHSA-N
XLogP3.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The IUPAC name of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide (CID 99787158) is N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide is CN(C)CCOc1cccc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
The InChIKey is FDOSJTZLTNLAAO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3/c1-24(2)9-10-27-15-6-3-5-14(11-15)12-19(26)23-13-18(25)20-16(21)7-4-8-17(20)22/h3-8,11,18,25H,9-10,12-13H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide?
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide has a molecular weight of 411.33 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 99787158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).