N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide

C17H22ClN3O2 — CID 60530251

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,12-19)16(22)20-11-15(21-7-9-23-10-8-21)13-5-3-4-6-14(13)18/h3-6,15H,7-11H2,1-2H3,(H,20,22)
InChIKeyOBZHYWMEGSPGPK-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide (PubChem CID 60530251) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
PubChem CID60530251
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C17H22ClN3O2/c1-17(2,12-19)16(22)20-11-15(21-7-9-23-10-8-21)13-5-3-4-6-14(13)18/h3-6,15H,7-11H2,1-2H3,(H,20,22)
InChIKeyOBZHYWMEGSPGPK-UHFFFAOYSA-N
XLogP2.38
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-phenylpropanamide
CID 120595396
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-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyanomethylsulfanyl)benzamide
CID 51938682
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
(E)-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylbut-2-enamide
CID 134028185
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide (CID 60530251) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide?
The InChIKey is OBZHYWMEGSPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-17(2,12-19)16(22)20-11-15(21-7-9-23-10-8-21)13-5-3-4-6-14(13)18/h3-6,15H,7-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide has a molecular weight of 335.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 60530251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).