(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide

C20H20ClN3O2 — CID 26315813

IUPAC(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-14-19(23-26-22-14)13-24(2)20(25)12-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)21/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyMEVBNFWDFOCESD-QGZVFWFLSA-N
MW369.85 g/mol
LogP4.21
Rot. Bonds6

About (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide

(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 26315813) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID26315813
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-14-19(23-26-22-14)13-24(2)20(25)12-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)21/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyMEVBNFWDFOCESD-QGZVFWFLSA-N
XLogP4.21
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
CID 42309815
3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 45210495
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 45250325
3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 45183065
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 45228911
(3S)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 25460689
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
(1S)-1-(2-chlorophenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81378296
(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
CID 25367831
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
3-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(2-methylphenyl)propanoic acid
CID 79442429

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide (CID 26315813) is (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide is Cc1nonc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is MEVBNFWDFOCESD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-19(23-26-22-14)13-24(2)20(25)12-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)21/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide?
(3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 369.85 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 26315813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).