N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide

C16H15N3O6 — CID 156562698

IUPACN'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide
SMILESNC(=O)C(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6/c17-15(21)16(22)18-13-7-11(8-20)3-6-14(13)25-9-10-1-4-12(5-2-10)19(23)24/h1-7,20H,8-9H2,(H2,17,21)(H,18,22)
InChIKeyZCQNCWZCVRXUDI-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.09
Rot. Bonds6

About N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide

N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide (PubChem CID 156562698) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide.

Molecular Properties

Compound NameN'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide
PubChem CID156562698
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide
SMILESNC(=O)C(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15N3O6/c17-15(21)16(22)18-13-7-11(8-20)3-6-14(13)25-9-10-1-4-12(5-2-10)19(23)24/h1-7,20H,8-9H2,(H2,17,21)(H,18,22)
InChIKeyZCQNCWZCVRXUDI-UHFFFAOYSA-N
XLogP1.09
TPSA144.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(S)-N2-{4-[(4-nitrobenzyl)oxy]benzyl}serinamide
CID 23625356
N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 731541
Cambridge id 6175017
CID 2271251
N-[4-fluoro-2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]acetamide
CID 167451266
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560770
N-(2-fluoro-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8560843
N-(2-ethoxyphenyl)-3-(3-nitrophenyl)acrylamide
CID 692322
N-(2-methoxy-5-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 731546
(2E)-N-(2-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875250
(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-5-nitrophenyl)-4-oxobut-2-enamide
CID 46248633
(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methoxy-4-nitrophenyl)-4-oxobut-2-enamide
CID 46248634
(2Z)-4-(4-ethoxyphenyl)-2-hydroxy-N-(2-methyl-4-nitrophenyl)-4-oxobut-2-enamide
CID 46248637

Frequently Asked Questions

What is the IUPAC name of N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide?
The IUPAC name of N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide (CID 156562698) is N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide.
What is the SMILES notation for N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide?
The canonical SMILES for N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide is NC(=O)C(=O)Nc1cc(CO)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide?
The InChIKey is ZCQNCWZCVRXUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c17-15(21)16(22)18-13-7-11(8-20)3-6-14(13)25-9-10-1-4-12(5-2-10)19(23)24/h1-7,20H,8-9H2,(H2,17,21)(H,18,22).
What are the key properties of N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide?
N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide has a molecular weight of 345.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(hydroxymethyl)-2-[(4-nitrophenyl)methoxy]phenyl]oxamide is sourced from PubChem (CID 156562698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).