N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide

C17H17N3O5 — CID 7585365

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-25-13-8-6-12(7-9-13)10-11-18-16(21)17(22)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyFMAPMFHCPNAKFX-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide (PubChem CID 7585365) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
PubChem CID7585365
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-25-13-8-6-12(7-9-13)10-11-18-16(21)17(22)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyFMAPMFHCPNAKFX-UHFFFAOYSA-N
XLogP1.90
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.90
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'}

Analyze N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide
CID 4882581
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992429
N-[(4-fluorophenyl)methyl]-N'-(2-nitrophenyl)oxamide
CID 7585343
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N'-(2-chloro-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 121478703
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide (CID 7585365) is N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
The InChIKey is FMAPMFHCPNAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-13-8-6-12(7-9-13)10-11-18-16(21)17(22)19-14-4-2-3-5-15(14)20(23)24/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide has a molecular weight of 343.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 7585365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).