2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

C17H25N3O4 — CID 4879563

IUPAC2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O4/c1-12-9-15(20(22)23)16(24-3)10-14(12)18-17(21)11-19(2)13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyXMFHMXBOPJOEEJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.11
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (PubChem CID 4879563) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
PubChem CID4879563
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)C2CCCCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O4/c1-12-9-15(20(22)23)16(24-3)10-14(12)18-17(21)11-19(2)13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyXMFHMXBOPJOEEJ-UHFFFAOYSA-N
XLogP3.11
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (CID 4879563) is 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is COc1cc(NC(=O)CN(C)C2CCCCC2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is XMFHMXBOPJOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-9-15(20(22)23)16(24-3)10-14(12)18-17(21)11-19(2)13-7-5-4-6-8-13/h9-10,13H,4-8,11H2,1-3H3,(H,18,21).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 4879563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).