N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide

C13H19N3O3 — CID 79202126

IUPACN-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-8-5-11(12(16(18)19)6-9(8)2)15-13(17)10(3)7-14-4/h5-6,10,14H,7H2,1-4H3,(H,15,17)
InChIKeyBHNFPRWICYEJMU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds5

About N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide

N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79202126) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79202126
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-8-5-11(12(16(18)19)6-9(8)2)15-13(17)10(3)7-14-4/h5-6,10,14H,7H2,1-4H3,(H,15,17)
InChIKeyBHNFPRWICYEJMU-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

3-chloro-N-(2,5-dimethyl-4-nitrophenyl)-2-methylpropanamide
CID 103145250
1-(4,5-dimethyl-2-nitrophenyl)-3-methylurea
CID 115579896
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)-4-methylpentanamide
CID 62099461
N-(4,5-dimethyl-2-nitrophenyl)-2-(propan-2-ylamino)acetamide
CID 60641044
2-cyano-N-(4,5-dimethyl-2-nitrophenyl)butanamide
CID 107856921
2-(azetidin-3-yl)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 116677616
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)hexanamide
CID 107145335
1-(4,5-dimethyl-2-nitrophenyl)-3-propylurea
CID 113218271
2-(butan-2-ylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 60647006
N-(4-chloro-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79195599
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
CID 113439011

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide (CID 79202126) is N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is BHNFPRWICYEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-11(12(16(18)19)6-9(8)2)15-13(17)10(3)7-14-4/h5-6,10,14H,7H2,1-4H3,(H,15,17).
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79202126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).