N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide

C14H22N4O3 — CID 119655425

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
SMILESCN(CC(C)(C)CN)C(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-14(2,9-15)10-17(3)13(19)8-16-11-6-4-5-7-12(11)18(20)21/h4-7,16H,8-10,15H2,1-3H3
InChIKeyAJLWCGQJNFMEEJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.45
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide (PubChem CID 119655425) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
PubChem CID119655425
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide
SMILESCN(CC(C)(C)CN)C(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O3/c1-14(2,9-15)10-17(3)13(19)8-16-11-6-4-5-7-12(11)18(20)21/h4-7,16H,8-10,15H2,1-3H3
InChIKeyAJLWCGQJNFMEEJ-UHFFFAOYSA-N
XLogP1.45
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.45
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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 119654510
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-nitro-4-sulfamoylanilino)propanamide;hydrochloride
CID 119656680
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethylanilino)-N-methylacetamide;dihydrochloride
CID 119657129
N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 133340888
2-methyl-5-[[methyl-[2-(2-nitroanilino)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119221736
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
3-[[2-(2-nitroanilino)acetyl]-propan-2-ylamino]propanoic acid
CID 119206749
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
propyl 2-(2-nitroanilino)acetate
CID 175410298
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-nitrophenyl)propanamide
CID 111750469
2,2-difluoro-N'-(2-nitrophenyl)propane-1,3-diamine
CID 114384183

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide (CID 119655425) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide is CN(CC(C)(C)CN)C(=O)CNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide?
The InChIKey is AJLWCGQJNFMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,9-15)10-17(3)13(19)8-16-11-6-4-5-7-12(11)18(20)21/h4-7,16H,8-10,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 119655425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).