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

C13H17N3O3 — CID 115572270

IUPAC2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC1CC1
InChIInChI=1S/C13H17N3O3/c1-8-5-9(2)12(16(18)19)6-11(8)15-13(17)7-14-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyKJLKVTBSQRUVPB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.90
Rot. Bonds5

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

2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (PubChem CID 115572270) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
PubChem CID115572270
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC1CC1
InChIInChI=1S/C13H17N3O3/c1-8-5-9(2)12(16(18)19)6-11(8)15-13(17)7-14-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyKJLKVTBSQRUVPB-UHFFFAOYSA-N
XLogP1.90
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.90
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-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145444
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
2-amino-N-[2-(2,4-dimethyl-5-nitroanilino)-2-oxoethyl]acetamide
CID 104757722
2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
CID 112808342
N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112768188
3-amino-N-(2,4-dimethyl-5-nitrophenyl)butanamide
CID 113449732
3-(cyclopropylamino)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 62098274
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide (CID 115572270) is 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
The InChIKey is KJLKVTBSQRUVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-5-9(2)12(16(18)19)6-11(8)15-13(17)7-14-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide?
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 115572270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).