N-(2-methoxy-5-nitrophenyl)propanamide

C10H12N2O4 — CID 2176144

IUPACN-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H12N2O4/c1-3-10(13)11-8-6-7(12(14)15)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyCJCQWDHRTPGELY-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)propanamide

N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 2176144) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID2176144
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2-methoxy-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H12N2O4/c1-3-10(13)11-8-6-7(12(14)15)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyCJCQWDHRTPGELY-UHFFFAOYSA-N
XLogP1.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Acetamide, N-(2-methoxyphenyl)-
CID 7135
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
2-Methoxy-5-nitroaniline
CID 7447
3'-Amino-4'-methoxyacetanilide
CID 80779
3'-Nitro-p-acetophenetidide
CID 15685
5-Nitro-2-propoxyaniline
CID 11118
Ace-011
CID 2877953
5'-Nitro-2'-propoxyacetanilide
CID 68377
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
N-(4-Hydroxy-3-nitrophenyl)acetamide
CID 3322389
4'-Methoxy-3'-nitroacetanilide
CID 95043
N-(3-chlorophenyl)-N'-(2-methoxy-5-nitrophenyl)urea
CID 303233

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)propanamide (CID 2176144) is N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)propanamide is CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is CJCQWDHRTPGELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-10(13)11-8-6-7(12(14)15)4-5-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(2-methoxy-5-nitrophenyl)propanamide?
N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 224.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 2176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).