3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide

C12H17N3O4 — CID 106112051

IUPAC3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
SMILESCOC(CN)C(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-14(12(16)11(7-13)19-2)8-9-5-3-4-6-10(9)15(17)18/h3-6,11H,7-8,13H2,1-2H3
InChIKeySGWZSGVDESCGGE-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.53
Rot. Bonds6

About 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide

3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide (PubChem CID 106112051) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
PubChem CID106112051
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
SMILESCOC(CN)C(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-14(12(16)11(7-13)19-2)8-9-5-3-4-6-10(9)15(17)18/h3-6,11H,7-8,13H2,1-2H3
InChIKeySGWZSGVDESCGGE-UHFFFAOYSA-N
XLogP0.53
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
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

4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
N-(1-aminopropan-2-yl)-N-methyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119581257
dimethyl (E)-2-[methyl-[(2-nitrophenyl)methyl]amino]but-2-enedioate
CID 11449676
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62682395
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119723180
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 60946127

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide (CID 106112051) is 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide is COC(CN)C(=O)N(C)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide?
The InChIKey is SGWZSGVDESCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14(12(16)11(7-13)19-2)8-9-5-3-4-6-10(9)15(17)18/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide?
3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide has a molecular weight of 267.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 106112051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).