2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide

C10H13N3O4 — CID 81150122

IUPAC2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O4/c1-17-9-3-7(5-12-6-10(11)14)2-8(4-9)13(15)16/h2-4,12H,5-6H2,1H3,(H2,11,14)
InChIKeyBNOKWRIKIXQROO-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.18
Rot. Bonds6

About 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide

2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide (PubChem CID 81150122) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide
PubChem CID81150122
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide
SMILESCOc1cc(CNCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O4/c1-17-9-3-7(5-12-6-10(11)14)2-8(4-9)13(15)16/h2-4,12H,5-6H2,1H3,(H2,11,14)
InChIKeyBNOKWRIKIXQROO-UHFFFAOYSA-N
XLogP0.18
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.18
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

3-[(3-methoxy-5-nitrophenyl)methylamino]propanamide
CID 81150060
N-tert-butyl-2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide
CID 115356370
6-[(3-methoxy-5-nitrophenyl)methylamino]hexan-1-ol
CID 107851695
N-[(3-methoxy-5-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 81149981
1-[(3-methoxy-5-nitrophenyl)methylamino]-2-methylbutan-2-ol
CID 81154709
N-[(3-methoxy-5-nitrophenyl)methyl]pent-3-yn-1-amine
CID 116643816
3-[(3-methoxy-5-nitrophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103993445
1-(3-methoxy-5-nitrophenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 81154711
2-[(3-methoxy-5-nitrophenyl)methylamino]-N-methylpropanamide
CID 81150215
ethyl 2-(3-methoxy-5-nitrophenyl)acetate
CID 134640478
N',N'-diethyl-N-[(3-methoxy-5-nitrophenyl)methyl]propane-1,3-diamine
CID 81145400
N-[(3-methoxy-5-nitrophenyl)methyl]pyrrol-1-amine
CID 81155058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide?
The IUPAC name of 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide (CID 81150122) is 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide?
The canonical SMILES for 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide is COc1cc(CNCC(N)=O)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide?
The InChIKey is BNOKWRIKIXQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-9-3-7(5-12-6-10(11)14)2-8(4-9)13(15)16/h2-4,12H,5-6H2,1H3,(H2,11,14).
What are the key properties of 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide?
2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide has a molecular weight of 239.23 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-5-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 81150122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).