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

C13H19N3O3 — CID 103109500

IUPAC2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide
SMILESCNC(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H19N3O3/c1-9-10(6-5-7-11(9)16(18)19)8-15-12(17)13(2,3)14-4/h5-7,14H,8H2,1-4H3,(H,15,17)
InChIKeyBTGNABJREBIADD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.52
Rot. Bonds5

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

2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide (PubChem CID 103109500) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide
PubChem CID103109500
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide
SMILESCNC(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C13H19N3O3/c1-9-10(6-5-7-11(9)16(18)19)8-15-12(17)13(2,3)14-4/h5-7,14H,8H2,1-4H3,(H,15,17)
InChIKeyBTGNABJREBIADD-UHFFFAOYSA-N
XLogP1.52
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
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

N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
2-bromo-3-methyl-N-[(2-methyl-3-nitrophenyl)methyl]butanamide
CID 103114767
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
5-hydroxy-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide
CID 103113657
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
2-bromo-N-[(2-methyl-3-nitrophenyl)methyl]benzamide
CID 103110629
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]butanediamide
CID 103109428
2-[(2-methyl-3-nitrophenyl)methylcarbamoylamino]oxyacetic acid
CID 103112801
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide (CID 103109500) is 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide is CNC(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide?
The InChIKey is BTGNABJREBIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-10(6-5-7-11(9)16(18)19)8-15-12(17)13(2,3)14-4/h5-7,14H,8H2,1-4H3,(H,15,17).
What are the key properties of 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide?
2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 103109500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).