N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide

C22H29ClN2O2 — CID 34948899

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O2/c1-5-25(6-2)21(19-9-7-8-10-20(19)23)14-24-22(26)15-27-18-12-11-16(3)17(4)13-18/h7-13,21H,5-6,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyRXBLXBOUFJMNGG-OAQYLSRUSA-N
MW388.94 g/mol
LogP4.53
Rot. Bonds9

About N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide

N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 34948899) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID34948899
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C22H29ClN2O2/c1-5-25(6-2)21(19-9-7-8-10-20(19)23)14-24-22(26)15-27-18-12-11-16(3)17(4)13-18/h7-13,21H,5-6,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyRXBLXBOUFJMNGG-OAQYLSRUSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
CID 43003288
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 55337679
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 24542506
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 30525493
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
2-(6-chloro-2-methyl-3-pyridinyl)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 97099413
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 43019801

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide (CID 34948899) is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide is CCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is RXBLXBOUFJMNGG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-5-25(6-2)21(19-9-7-8-10-20(19)23)14-24-22(26)15-27-18-12-11-16(3)17(4)13-18/h7-13,21H,5-6,14-15H2,1-4H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 388.94 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 34948899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).