N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide

C22H26FN3O5 — CID 30835458

IUPACN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H26FN3O5/c1-29-17-7-8-18(20(13-17)30-2)25-22(28)21(27)24-14-19(26-9-11-31-12-10-26)15-3-5-16(23)6-4-15/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyKACVLGAUJPKJNA-IBGZPJMESA-N
MW431.46 g/mol
LogP1.97
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835458) has the molecular formula C22H26FN3O5 and a molecular weight of 431.46 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835458
Molecular FormulaC22H26FN3O5
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H26FN3O5/c1-29-17-7-8-18(20(13-17)30-2)25-22(28)21(27)24-14-19(26-9-11-31-12-10-26)15-3-5-16(23)6-4-15/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyKACVLGAUJPKJNA-IBGZPJMESA-N
XLogP1.97
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835458) is N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is KACVLGAUJPKJNA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26FN3O5/c1-29-17-7-8-18(20(13-17)30-2)25-22(28)21(27)24-14-19(26-9-11-31-12-10-26)15-3-5-16(23)6-4-15/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 431.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).