N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide

C17H25ClN2O2 — CID 37054001

IUPACN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-17(2,3)16(21)19-12-15(20-8-10-22-11-9-20)13-6-4-5-7-14(13)18/h4-7,15H,8-12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyVZIBBVXATMQWSG-OAHLLOKOSA-N
MW324.85 g/mol
LogP2.88
Rot. Bonds4

About N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide (PubChem CID 37054001) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
PubChem CID37054001
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-17(2,3)16(21)19-12-15(20-8-10-22-11-9-20)13-6-4-5-7-14(13)18/h4-7,15H,8-12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyVZIBBVXATMQWSG-OAHLLOKOSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
CID 134028185
tert-butyl N-[2-[[N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884493
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide (CID 37054001) is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide?
The InChIKey is VZIBBVXATMQWSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-17(2,3)16(21)19-12-15(20-8-10-22-11-9-20)13-6-4-5-7-14(13)18/h4-7,15H,8-12H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide?
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide has a molecular weight of 324.85 g/mol, XLogP of 2.88, 4 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 37054001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).