2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide

C13H18N2O4 — CID 59675329

IUPAC2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide
SMILESCOc1c([N+](=O)[O-])ccc(C(C)C)c1C(=O)N(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)9-6-7-10(15(17)18)12(19-5)11(9)13(16)14(3)4/h6-8H,1-5H3
InChIKeyFJIBXKCXFYDIBK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.43
Rot. Bonds4

About 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide

2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide (PubChem CID 59675329) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide
PubChem CID59675329
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide
SMILESCOc1c([N+](=O)[O-])ccc(C(C)C)c1C(=O)N(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)9-6-7-10(15(17)18)12(19-5)11(9)13(16)14(3)4/h6-8H,1-5H3
InChIKeyFJIBXKCXFYDIBK-UHFFFAOYSA-N
XLogP2.43
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.43
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

6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
CID 59675238
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
CID 11770181
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
1-(2,3-dimethoxy-4-nitrophenyl)-3-phenylprop-2-yn-1-ol
CID 67067891
methyl 2-(4-nitronaphthalen-1-yl)oxypropanoate
CID 63690119
potassium 2-methoxy-3-nitrophenol
CID 67083613
4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
CID 58736638
4-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461
2-bromo-3-methoxy-4-nitro-1-oxidopyridin-1-ium
CID 119098656
N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
CID 2800381

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide (CID 59675329) is 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide is COc1c([N+](=O)[O-])ccc(C(C)C)c1C(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide?
The InChIKey is FJIBXKCXFYDIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)9-6-7-10(15(17)18)12(19-5)11(9)13(16)14(3)4/h6-8H,1-5H3.
What are the key properties of 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide?
2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide is sourced from PubChem (CID 59675329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).