2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

C17H25N3O4 — CID 9265449

IUPAC2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCCCC1
InChIInChI=1S/C17H25N3O4/c1-24-16-10-9-14(20(22)23)11-15(16)19-17(21)12-18-13-7-5-3-2-4-6-8-13/h9-11,13,18H,2-8,12H2,1H3,(H,19,21)
InChIKeyDCRHIMCSVGQREL-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.24
Rot. Bonds6

About 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 9265449) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID9265449
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCCCC1
InChIInChI=1S/C17H25N3O4/c1-24-16-10-9-14(20(22)23)11-15(16)19-17(21)12-18-13-7-5-3-2-4-6-8-13/h9-11,13,18H,2-8,12H2,1H3,(H,19,21)
InChIKeyDCRHIMCSVGQREL-UHFFFAOYSA-N
XLogP3.24
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.24
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-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 9265449) is 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is DCRHIMCSVGQREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-24-16-10-9-14(20(22)23)11-15(16)19-17(21)12-18-13-7-5-3-2-4-6-8-13/h9-11,13,18H,2-8,12H2,1H3,(H,19,21).
What are the key properties of 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 9265449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).