N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide

C22H27ClN2O2 — CID 39590991

IUPACN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-6-8-18(9-7-17)10-11-22(26)24-16-21(25-12-14-27-15-13-25)19-4-2-3-5-20(19)23/h2-9,21H,10-16H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyQEXASUNZJHJWBH-OAQYLSRUSA-N
MW386.92 g/mol
LogP3.77
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide (PubChem CID 39590991) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
PubChem CID39590991
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-6-8-18(9-7-17)10-11-22(26)24-16-21(25-12-14-27-15-13-25)19-4-2-3-5-20(19)23/h2-9,21H,10-16H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyQEXASUNZJHJWBH-OAQYLSRUSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55610174
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide (CID 39590991) is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is QEXASUNZJHJWBH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17-6-8-18(9-7-17)10-11-22(26)24-16-21(25-12-14-27-15-13-25)19-4-2-3-5-20(19)23/h2-9,21H,10-16H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide?
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 386.92 g/mol, XLogP of 3.77, 7 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-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 39590991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).