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

C12H16N2O4 — CID 112685838

IUPAC2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
SMILESCOC(C)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-9(18-3)12(15)13(2)8-10-5-4-6-11(7-10)14(16)17/h4-7,9H,8H2,1-3H3
InChIKeyVZLRXSASIXMXBZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.59
Rot. Bonds5

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

2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide (PubChem CID 112685838) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
PubChem CID112685838
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
SMILESCOC(C)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-9(18-3)12(15)13(2)8-10-5-4-6-11(7-10)14(16)17/h4-7,9H,8H2,1-3H3
InChIKeyVZLRXSASIXMXBZ-UHFFFAOYSA-N
XLogP1.59
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
CID 8609346
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
2-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47027180
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide (CID 112685838) is 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide is COC(C)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The InChIKey is VZLRXSASIXMXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-9(18-3)12(15)13(2)8-10-5-4-6-11(7-10)14(16)17/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide has a molecular weight of 252.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 112685838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).