2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide

C11H15N3O4 — CID 43329475

IUPAC2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1CNC(C)C(N)=O
InChIInChI=1S/C11H15N3O4/c1-7(11(12)15)13-6-8-5-9(14(16)17)3-4-10(8)18-2/h3-5,7,13H,6H2,1-2H3,(H2,12,15)
InChIKeyBNBNFPOPUYWUPO-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.57
Rot. Bonds6

About 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide

2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide (PubChem CID 43329475) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
PubChem CID43329475
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1CNC(C)C(N)=O
InChIInChI=1S/C11H15N3O4/c1-7(11(12)15)13-6-8-5-9(14(16)17)3-4-10(8)18-2/h3-5,7,13H,6H2,1-2H3,(H2,12,15)
InChIKeyBNBNFPOPUYWUPO-UHFFFAOYSA-N
XLogP0.57
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-5-nitrophenyl)methylamino]-3-methylbutanamide
CID 103913981
(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
CID 60695601
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanoic acid
CID 43468781
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224
N-[(2-methoxy-5-nitrophenyl)methyl]-6-methylheptan-2-amine
CID 60677362
2-[(2-methoxy-5-nitrophenyl)methylamino]ethyl carbamate
CID 83210722
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
1-(2-methoxy-5-nitrophenyl)-N-(2-methylpropoxy)methanamine
CID 82714383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide (CID 43329475) is 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide is COc1ccc([N+](=O)[O-])cc1CNC(C)C(N)=O.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide?
The InChIKey is BNBNFPOPUYWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(11(12)15)13-6-8-5-9(14(16)17)3-4-10(8)18-2/h3-5,7,13H,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide?
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide has a molecular weight of 253.26 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 43329475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).