N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide

C13H20N4O3 — CID 82950772

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)NC(C)CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-9(8-16(3)4)15-13(18)10-6-5-7-11(14-2)12(10)17(19)20/h5-7,9,14H,8H2,1-4H3,(H,15,18)
InChIKeyAZROHRUZPDAHJX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.32
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide

N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide (PubChem CID 82950772) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
PubChem CID82950772
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)NC(C)CN(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-9(8-16(3)4)15-13(18)10-6-5-7-11(14-2)12(10)17(19)20/h5-7,9,14H,8H2,1-4H3,(H,15,18)
InChIKeyAZROHRUZPDAHJX-UHFFFAOYSA-N
XLogP1.32
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112
N-heptan-2-yl-3-(methylamino)-2-nitrobenzamide
CID 115548892
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
N-butan-2-yl-2-nitro-3-(propylamino)benzamide
CID 115548231
N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
CID 115548743
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 103192488
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 115548497
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548666
3-(methylamino)-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218033
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide (CID 82950772) is N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide is CNc1cccc(C(=O)NC(C)CN(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide?
The InChIKey is AZROHRUZPDAHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(8-16(3)4)15-13(18)10-6-5-7-11(14-2)12(10)17(19)20/h5-7,9,14H,8H2,1-4H3,(H,15,18).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide?
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide has a molecular weight of 280.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 82950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).