N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide

C13H19N3O3 — CID 103824411

IUPACN,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-13(2,12(17)14-3)9-15-8-10-6-4-5-7-11(10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17)
InChIKeyFIBSGBODLXCMQK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds6

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

N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide (PubChem CID 103824411) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
PubChem CID103824411
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-13(2,12(17)14-3)9-15-8-10-6-4-5-7-11(10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17)
InChIKeyFIBSGBODLXCMQK-UHFFFAOYSA-N
XLogP1.46
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
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

1-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
N,N,2,2-tetramethyl-N'-[(2-nitrophenyl)methyl]propane-1,3-diamine
CID 28572568
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103923775
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
3-[(3-cyano-2-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106277183
2-[[(2-nitrophenyl)methylamino]methyl]benzoic acid
CID 103245839
2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
CID 104562118
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
(2-nitrophenyl)methylcarbamic acid
CID 18621803

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide (CID 103824411) is N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide is CNC(=O)C(C)(C)CNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide?
The InChIKey is FIBSGBODLXCMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,12(17)14-3)9-15-8-10-6-4-5-7-11(10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide?
N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 103824411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).