2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

C12H17N3O3 — CID 5206074

IUPAC2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C12H17N3O3/c1-8-5-10(13-12(16)7-14(3)4)11(15(17)18)6-9(8)2/h5-6H,7H2,1-4H3,(H,13,16)
InChIKeyQXIIGKIJWDOKSY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.71
Rot. Bonds4

About 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (PubChem CID 5206074) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
PubChem CID5206074
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
SMILESCc1cc(NC(=O)CN(C)C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C12H17N3O3/c1-8-5-10(13-12(16)7-14(3)4)11(15(17)18)6-9(8)2/h5-6H,7H2,1-4H3,(H,13,16)
InChIKeyQXIIGKIJWDOKSY-UHFFFAOYSA-N
XLogP1.71
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
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

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CID 38479
Epicept NP-1
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Acea-1328
CID 9816093
2-[(4-fluorobenzyl)amino]-N-(2-nitrophenyl)acetamide
CID 4187904
N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine
CID 15186627
N-(4-methyl-2-nitrophenyl)-4-phenylbutanamide
CID 2907454
2-[benzyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4556994
5-Nitro-6,7-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10611559
1,4,6-Trimethyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 609288
Acetamide, N-(4-methyl-2-nitrophenyl)-
CID 69162
N-(1-Nitro-naphthalen-2-YL)-acetamide
CID 222855
N-(2-acetamido-4,5-dimethylphenyl)acetamide
CID 342731

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide (CID 5206074) is 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is Cc1cc(NC(=O)CN(C)C)c([N+](=O)[O-])cc1C.
What is the InChIKey of 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
The InChIKey is QXIIGKIJWDOKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-10(13-12(16)7-14(3)4)11(15(17)18)6-9(8)2/h5-6H,7H2,1-4H3,(H,13,16).
What are the key properties of 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide?
2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 5206074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).