N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide

C22H27ClN4O3 — CID 18583650

IUPACN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)Nc2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O3/c1-26(2)17-9-7-16(8-10-17)20(27-11-13-30-14-12-27)15-24-21(28)22(29)25-19-6-4-3-5-18(19)23/h3-10,20H,11-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHCYLGCRQMFSCLV-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.53
Rot. Bonds6

About N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide

N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide (PubChem CID 18583650) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
PubChem CID18583650
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC NameN'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)Nc2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O3/c1-26(2)17-9-7-16(8-10-17)20(27-11-13-30-14-12-27)15-24-21(28)22(29)25-19-6-4-3-5-18(19)23/h3-10,20H,11-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHCYLGCRQMFSCLV-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774140
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 7645008
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774053
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N'-(3,4-dimethylphenyl)oxamide
CID 7192699
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 7644897
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 18583606

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide (CID 18583650) is N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide is CN(C)c1ccc(C(CNC(=O)C(=O)Nc2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
The InChIKey is HCYLGCRQMFSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-26(2)17-9-7-16(8-10-17)20(27-11-13-30-14-12-27)15-24-21(28)22(29)25-19-6-4-3-5-18(19)23/h3-10,20H,11-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide?
N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide has a molecular weight of 430.94 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 18583650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).