2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide

C13H18N4O5 — CID 33174069

IUPAC2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N4O5/c1-3-6-14-13(19)16-12(18)8-15-10-7-9(17(20)21)4-5-11(10)22-2/h4-5,7,15H,3,6,8H2,1-2H3,(H2,14,16,18,19)
InChIKeyYLJGVADANSSJAD-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.25
Rot. Bonds7

About 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide

2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide (PubChem CID 33174069) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide
PubChem CID33174069
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Name2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CNc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N4O5/c1-3-6-14-13(19)16-12(18)8-15-10-7-9(17(20)21)4-5-11(10)22-2/h4-5,7,15H,3,6,8H2,1-2H3,(H2,14,16,18,19)
InChIKeyYLJGVADANSSJAD-UHFFFAOYSA-N
XLogP1.25
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 33173731
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 16568291

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide (CID 33174069) is 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CNc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide?
The InChIKey is YLJGVADANSSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-3-6-14-13(19)16-12(18)8-15-10-7-9(17(20)21)4-5-11(10)22-2/h4-5,7,15H,3,6,8H2,1-2H3,(H2,14,16,18,19).
What are the key properties of 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide?
2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 33174069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).