N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

C23H29N3O3 — CID 30835185

IUPACN-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-3-7-19(8-4-17)15-24-22(27)23(28)25-16-21(26-11-13-29-14-12-26)20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,27)(H,25,28)/t21-/m0/s1
InChIKeyZOSNPNXPJHWMSS-NRFANRHFSA-N
MW395.50 g/mol
LogP2.11
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835185) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835185
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-3-7-19(8-4-17)15-24-22(27)23(28)25-16-21(26-11-13-29-14-12-26)20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,27)(H,25,28)/t21-/m0/s1
InChIKeyZOSNPNXPJHWMSS-NRFANRHFSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27369962
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774053
N-[(4-fluorophenyl)methyl]-N'-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578340
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835185) is N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is ZOSNPNXPJHWMSS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-3-7-19(8-4-17)15-24-22(27)23(28)25-16-21(26-11-13-29-14-12-26)20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,27)(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 395.50 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).