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

C23H29N3O4 — CID 18589221

IUPACN'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)NCc2ccc(C)cc2)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17-6-8-18(9-7-17)15-24-22(27)23(28)25-16-21(26-10-12-30-13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKZPAFVXJPDYRQR-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.81
Rot. Bonds7

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

N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 18589221) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID18589221
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)NCc2ccc(C)cc2)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O4/c1-17-6-8-18(9-7-17)15-24-22(27)23(28)25-16-21(26-10-12-30-13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKZPAFVXJPDYRQR-UHFFFAOYSA-N
XLogP1.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.81
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-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835333
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N-[(3-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932478
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 18589221) is N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is COc1cccc(C(CNC(=O)C(=O)NCc2ccc(C)cc2)N2CCOCC2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is KZPAFVXJPDYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17-6-8-18(9-7-17)15-24-22(27)23(28)25-16-21(26-10-12-30-13-11-26)19-4-3-5-20(14-19)29-2/h3-9,14,21H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 411.50 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 18589221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).