N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide

C16H15N3O5 — CID 2889588

IUPACN-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O5/c1-24-14-8-2-11(3-9-14)10-17-15(20)16(21)18-12-4-6-13(7-5-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyYGTBPXDBNQEMOG-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.86
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide

N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide (PubChem CID 2889588) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
PubChem CID2889588
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O5/c1-24-14-8-2-11(3-9-14)10-17-15(20)16(21)18-12-4-6-13(7-5-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyYGTBPXDBNQEMOG-UHFFFAOYSA-N
XLogP1.86
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
1-[(4-ethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 108884371
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
1-(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]hydrazine;hydrochloride
CID 67917651
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
1-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(4-nitrophenyl)urea
CID 135222670
[4-[(4-nitrophenoxy)carbonylamino]phenyl]methylcarbamic acid
CID 174223547
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 6112838
(4-nitrophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1310146
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide (CID 2889588) is N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide?
The InChIKey is YGTBPXDBNQEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-24-14-8-2-11(3-9-14)10-17-15(20)16(21)18-12-4-6-13(7-5-12)19(22)23/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide?
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide has a molecular weight of 329.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide is sourced from PubChem (CID 2889588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).