N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide

C14H19N3O5 — CID 108528561

IUPACN'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H19N3O5/c1-4-5-8-16(2)14(19)13(18)15-11-9-10(17(20)21)6-7-12(11)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyMGZHHEZHCCTGIJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.80
Rot. Bonds6

About N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide

N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide (PubChem CID 108528561) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
PubChem CID108528561
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H19N3O5/c1-4-5-8-16(2)14(19)13(18)15-11-9-10(17(20)21)6-7-12(11)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyMGZHHEZHCCTGIJ-UHFFFAOYSA-N
XLogP1.80
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
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'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
N'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
CID 108532435
butyl 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoacetyl]amino]benzoate
CID 108514685
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852710
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)-1-methylurea
CID 55694053
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide?
The IUPAC name of N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide (CID 108528561) is N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide?
The InChIKey is MGZHHEZHCCTGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-4-5-8-16(2)14(19)13(18)15-11-9-10(17(20)21)6-7-12(11)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,18).
What are the key properties of N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide?
N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide has a molecular weight of 309.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide is sourced from PubChem (CID 108528561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).