2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide

C14H21N3O3 — CID 115572266

IUPAC2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-9-6-10(2)12(17(19)20)7-11(9)16-13(18)8-15-14(3,4)5/h6-7,15H,8H2,1-5H3,(H,16,18)
InChIKeyPBCSYNGVHVUMNM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.54
Rot. Bonds4

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

2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (PubChem CID 115572266) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
PubChem CID115572266
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C14H21N3O3/c1-9-6-10(2)12(17(19)20)7-11(9)16-13(18)8-15-14(3,4)5/h6-7,15H,8H2,1-5H3,(H,16,18)
InChIKeyPBCSYNGVHVUMNM-UHFFFAOYSA-N
XLogP2.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.54
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

2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
2-(2-aminoethoxy)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 104757812
N-(2,2-dimethylpropyl)-2,4-dimethyl-5-nitroaniline
CID 104757477
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (CID 115572266) is 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The InChIKey is PBCSYNGVHVUMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-6-10(2)12(17(19)20)7-11(9)16-13(18)8-15-14(3,4)5/h6-7,15H,8H2,1-5H3,(H,16,18).
What are the key properties of 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 115572266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).