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

C22H26FN3O4 — CID 30835333

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-19-4-2-3-17(13-19)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-16-5-7-18(23)8-6-16/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyNDYWBRKSTASASF-FQEVSTJZSA-N
MW415.47 g/mol
LogP1.64
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835333) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835333
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C22H26FN3O4/c1-29-19-4-2-3-17(13-19)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-16-5-7-18(23)8-6-16/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyNDYWBRKSTASASF-FQEVSTJZSA-N
XLogP1.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.64
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'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 43990693
N-[(3-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932478
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631305
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(4-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932457
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835333) is N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is COc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is NDYWBRKSTASASF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-29-19-4-2-3-17(13-19)20(26-9-11-30-12-10-26)15-25-22(28)21(27)24-14-16-5-7-18(23)8-6-16/h2-8,13,20H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 415.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).