N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

C22H27N3O3 — CID 30835176

IUPACN-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)20(25-11-13-28-14-12-25)16-24-22(27)21(26)23-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyGJQADUBVDUGNTK-HXUWFJFHSA-N
MW381.48 g/mol
LogP1.80
Rot. Bonds6

About N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide

N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835176) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835176
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)20(25-11-13-28-14-12-25)16-24-22(27)21(26)23-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)/t20-/m1/s1
InChIKeyGJQADUBVDUGNTK-HXUWFJFHSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.80
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-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 30835257
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
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-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27369962
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835176) is N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is GJQADUBVDUGNTK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-9-19(10-8-17)20(25-11-13-28-14-12-25)16-24-22(27)21(26)23-15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,23,26)(H,24,27)/t20-/m1/s1.
What are the key properties of N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 381.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).