2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide

C14H22N4O3 — CID 115310146

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
SMILESCC(C)CC(C)(CN)Nc1ccc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C14H22N4O3/c1-9(2)7-14(3,8-15)17-12-5-4-10(18(20)21)6-11(12)13(16)19/h4-6,9,17H,7-8,15H2,1-3H3,(H2,16,19)
InChIKeyMKMYLTQBUVUCEF-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.87
Rot. Bonds7

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide (PubChem CID 115310146) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
PubChem CID115310146
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
SMILESCC(C)CC(C)(CN)Nc1ccc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C14H22N4O3/c1-9(2)7-14(3,8-15)17-12-5-4-10(18(20)21)6-11(12)13(16)19/h4-6,9,17H,7-8,15H2,1-3H3,(H2,16,19)
InChIKeyMKMYLTQBUVUCEF-UHFFFAOYSA-N
XLogP1.87
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
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

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2-(2-carbamoyl-4-nitroanilino)-2-methylpropanoic acid
CID 61264170
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-5-nitrobenzamide
CID 115309751
2-(2-carbamoyl-4-nitroanilino)-2-methylbutanoic acid
CID 79792901
2-N-(4-fluoro-2-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 115310095
2-[(2-methyl-2-methylsulfanylpropyl)amino]-5-nitrobenzamide
CID 133327327
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119599446
2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 106891864
2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
(2-carbamoyl-4-nitroanilino) 2-oxobutanoate
CID 91448131
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 86814096
2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
CID 104540937

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide (CID 115310146) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide is CC(C)CC(C)(CN)Nc1ccc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide?
The InChIKey is MKMYLTQBUVUCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)7-14(3,8-15)17-12-5-4-10(18(20)21)6-11(12)13(16)19/h4-6,9,17H,7-8,15H2,1-3H3,(H2,16,19).
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide is sourced from PubChem (CID 115310146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).