N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide

C25H33N3O3 — CID 27463009

IUPACN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H33N3O3/c1-18-15-19(2)23(20(3)16-18)27-25(30)24(29)26-11-7-8-12-28-13-14-31-22(17-28)21-9-5-4-6-10-21/h4-6,9-10,15-16,22H,7-8,11-14,17H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyRLPAASODCTZIPH-QFIPXVFZSA-N
MW423.56 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide

N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 27463009) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID27463009
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H33N3O3/c1-18-15-19(2)23(20(3)16-18)27-25(30)24(29)26-11-7-8-12-28-13-14-31-22(17-28)21-9-5-4-6-10-21/h4-6,9-10,15-16,22H,7-8,11-14,17H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyRLPAASODCTZIPH-QFIPXVFZSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27486360
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
4-methyl-3-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892657

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 27463009) is N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)c(C)c1.
What is the InChIKey of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is RLPAASODCTZIPH-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18-15-19(2)23(20(3)16-18)27-25(30)24(29)26-11-7-8-12-28-13-14-31-22(17-28)21-9-5-4-6-10-21/h4-6,9-10,15-16,22H,7-8,11-14,17H2,1-3H3,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 423.56 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 27463009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).