2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide

C12H17N3O5 — CID 83007846

IUPAC2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide
SMILESCOc1cc(NC(C)(C)C(N)=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H17N3O5/c1-12(2,11(13)16)14-7-5-9(19-3)10(20-4)6-8(7)15(17)18/h5-6,14H,1-4H3,(H2,13,16)
InChIKeySTIVWKOXCGLVRP-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.29
Rot. Bonds6

About 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide

2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide (PubChem CID 83007846) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide
PubChem CID83007846
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide
SMILESCOc1cc(NC(C)(C)C(N)=O)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C12H17N3O5/c1-12(2,11(13)16)14-7-5-9(19-3)10(20-4)6-8(7)15(17)18/h5-6,14H,1-4H3,(H2,13,16)
InChIKeySTIVWKOXCGLVRP-UHFFFAOYSA-N
XLogP1.29
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 110443180
4-(4,5-dimethoxy-2-nitroanilino)butanamide
CID 83008392
2-(4,5-dimethoxy-2-nitroanilino)ethylurea
CID 83113274
(4,5-dimethoxy-2-nitrophenyl)hydrazine
CID 11435818
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
1-(4,5-dimethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 83008395
2-(5-cyano-2-nitroanilino)-2-methylpropanamide
CID 104713533
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
N-(2-ethoxy-2-methylpropyl)-4,5-dimethoxy-2-nitroaniline
CID 114942777
5-(4,5-dimethoxy-2-nitroanilino)pentan-1-ol
CID 107302435

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide?
The IUPAC name of 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide (CID 83007846) is 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide is COc1cc(NC(C)(C)C(N)=O)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide?
The InChIKey is STIVWKOXCGLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-12(2,11(13)16)14-7-5-9(19-3)10(20-4)6-8(7)15(17)18/h5-6,14H,1-4H3,(H2,13,16).
What are the key properties of 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide?
2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide has a molecular weight of 283.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide is sourced from PubChem (CID 83007846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).