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

C13H17N3O5 — CID 62109287

IUPAC2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(NC1CC1)C(N)=O
InChIInChI=1S/C13H17N3O5/c1-20-12-6-9(16(18)19)4-5-11(12)21-7-10(13(14)17)15-8-2-3-8/h4-6,8,10,15H,2-3,7H2,1H3,(H2,14,17)
InChIKeyVRGRLMOLWISZQN-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.59
Rot. Bonds8

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

2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide (PubChem CID 62109287) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
PubChem CID62109287
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1OCC(NC1CC1)C(N)=O
InChIInChI=1S/C13H17N3O5/c1-20-12-6-9(16(18)19)4-5-11(12)21-7-10(13(14)17)15-8-2-3-8/h4-6,8,10,15H,2-3,7H2,1H3,(H2,14,17)
InChIKeyVRGRLMOLWISZQN-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-(4-methoxy-3-nitrophenoxy)propanamide
CID 103202199
methyl 3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)propanoate
CID 103012255
3-(2-methoxy-4-nitrophenoxy)-2-(propan-2-ylamino)propanoic acid
CID 62110632
2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide
CID 63040159
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(cyclopropylamino)-3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102703444
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide (CID 62109287) is 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide is COc1cc([N+](=O)[O-])ccc1OCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide?
The InChIKey is VRGRLMOLWISZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-12-6-9(16(18)19)4-5-11(12)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-(2-methoxy-4-nitrophenoxy)propanamide?
2-(cyclopropylamino)-3-(2-methoxy-4-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-(2-methoxy-4-nitrophenoxy)propanamide is sourced from PubChem (CID 62109287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).