N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide

C22H26ClN3O4 — CID 30835377

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O4/c1-29-18-7-4-6-16(13-18)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-17-5-2-3-8-19(17)23/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyHJMPPZLTADINJL-FQEVSTJZSA-N
MW431.92 g/mol
LogP2.15
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835377) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835377
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O4/c1-29-18-7-4-6-16(13-18)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-17-5-2-3-8-19(17)23/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyHJMPPZLTADINJL-FQEVSTJZSA-N
XLogP2.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835333
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217373
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864
N-[(3-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932478
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835377) is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is COc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is HJMPPZLTADINJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-29-18-7-4-6-16(13-18)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-17-5-2-3-8-19(17)23/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 431.92 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).