N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide

C20H23N3O4 — CID 144741604

IUPACN-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Cc1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1)NO
InChIInChI=1S/C20H23N3O4/c24-19(21-26)14-16-6-8-17(9-7-16)15-23(18-4-2-1-3-5-18)20(25)22-10-12-27-13-11-22/h1-9,26H,10-15H2,(H,21,24)
InChIKeyVGVFORWXTLWCAM-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.19
Rot. Bonds5

About N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide

N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 144741604) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID144741604
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Cc1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1)NO
InChIInChI=1S/C20H23N3O4/c24-19(21-26)14-16-6-8-17(9-7-16)15-23(18-4-2-1-3-5-18)20(25)22-10-12-27-13-11-22/h1-9,26H,10-15H2,(H,21,24)
InChIKeyVGVFORWXTLWCAM-UHFFFAOYSA-N
XLogP2.19
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-(4-bromophenyl)-N-[(4-formylphenyl)methyl]morpholine-4-carboxamide
CID 144741606
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
N-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 86280925
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
methyl 4-[[4-methylsulfanyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 140894821
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990448

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide (CID 144741604) is N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide is O=C(Cc1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)cc1)NO.
What is the InChIKey of N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is VGVFORWXTLWCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-19(21-26)14-16-6-8-17(9-7-16)15-23(18-4-2-1-3-5-18)20(25)22-10-12-27-13-11-22/h1-9,26H,10-15H2,(H,21,24).
What are the key properties of N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide?
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 144741604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).