(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide

C21H26ClNO4 — CID 38016906

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C21H26ClNO4/c1-5-25-19-11-10-16(12-20(19)26-6-2)14(3)23-21(24)15(4)27-18-9-7-8-17(22)13-18/h7-15H,5-6H2,1-4H3,(H,23,24)/t14-,15+/m1/s1
InChIKeyXZNGSVBDOHKLTM-CABCVRRESA-N
MW391.90 g/mol
LogP4.78
Rot. Bonds9

About (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 38016906) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID38016906
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C21H26ClNO4/c1-5-25-19-11-10-16(12-20(19)26-6-2)14(3)23-21(24)15(4)27-18-9-7-8-17(22)13-18/h7-15H,5-6H2,1-4H3,(H,23,24)/t14-,15+/m1/s1
InChIKeyXZNGSVBDOHKLTM-CABCVRRESA-N
XLogP4.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide 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

(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide
CID 51115534
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856413
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide (CID 38016906) is (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is XZNGSVBDOHKLTM-CABCVRRESA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-5-25-19-11-10-16(12-20(19)26-6-2)14(3)23-21(24)15(4)27-18-9-7-8-17(22)13-18/h7-15H,5-6H2,1-4H3,(H,23,24)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 391.90 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 38016906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).