2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide

C14H20N2O4 — CID 103029241

IUPAC2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-10(15(4)13(17)14(2,3)20-5)11-7-6-8-12(9-11)16(18)19/h6-10H,1-5H3
InChIKeyLHZJTXLAXOITJQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.54
Rot. Bonds5

About 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide

2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide (PubChem CID 103029241) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
PubChem CID103029241
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-10(15(4)13(17)14(2,3)20-5)11-7-6-8-12(9-11)16(18)19/h6-10H,1-5H3
InChIKeyLHZJTXLAXOITJQ-UHFFFAOYSA-N
XLogP2.54
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.54
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-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 115588142
(3S)-4,4,4-trifluoro-3-hydroxy-N,3-dimethyl-N-[(1R)-1-(3-nitrophenyl)ethyl]butanamide
CID 9076650
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
tert-butyl 2-[hydroxy-(3-nitrophenyl)methyl]prop-2-enoate
CID 101468909
3-(tert-butylsulfamoyl)-4-methoxy-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46566213
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-phenylsulfanylpropanamide
CID 46449768
N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 46565300
5-bromo-N-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 107910414
1-(2,2-dimethylpropanoyl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]piperidine-4-carboxamide
CID 51222532
2-(azetidin-3-yl)-N-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 116678603

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The IUPAC name of 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide (CID 103029241) is 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide.
What is the SMILES notation for 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The canonical SMILES for 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide is COC(C)(C)C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
The InChIKey is LHZJTXLAXOITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(15(4)13(17)14(2,3)20-5)11-7-6-8-12(9-11)16(18)19/h6-10H,1-5H3.
What are the key properties of 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide?
2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide has a molecular weight of 280.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]propanamide is sourced from PubChem (CID 103029241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).