2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide

C13H17N3O5 — CID 103202199

IUPAC2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
SMILESCOc1ccc(OCC(NC2CC2)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-20-12-5-4-9(6-11(12)16(18)19)21-7-10(13(14)17)15-8-2-3-8/h4-6,8,10,15H,2-3,7H2,1H3,(H2,14,17)
InChIKeyZSTXKBGPNCEGIO-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.59
Rot. Bonds8

About 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide

2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide (PubChem CID 103202199) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
PubChem CID103202199
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
SMILESCOc1ccc(OCC(NC2CC2)C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-20-12-5-4-9(6-11(12)16(18)19)21-7-10(13(14)17)15-8-2-3-8/h4-6,8,10,15H,2-3,7H2,1H3,(H2,14,17)
InChIKeyZSTXKBGPNCEGIO-UHFFFAOYSA-N
XLogP0.59
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
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-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
CID 62109287
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
1-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propan-2-ol
CID 103201565
2-(cyclopropylamino)-3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102703444
2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
CID 63599204
3-(4-methoxy-3-nitrophenoxy)-2-(propylamino)propanoic acid
CID 103202213
1-cyclohexyl-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201857
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
methyl 3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)propanoate
CID 103012255
methyl (E)-4-(4-methoxy-3-nitrophenoxy)-2-methylbut-2-enoate
CID 103201508
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 2475790

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide (CID 103202199) is 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide is COc1ccc(OCC(NC2CC2)C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide?
The InChIKey is ZSTXKBGPNCEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-12-5-4-9(6-11(12)16(18)19)21-7-10(13(14)17)15-8-2-3-8/h4-6,8,10,15H,2-3,7H2,1H3,(H2,14,17).
What are the key properties of 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide?
2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide has a molecular weight of 295.30 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide is sourced from PubChem (CID 103202199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).