N-cycloheptyl-2-(4-nitrophenyl)acetamide

C15H20N2O3 — CID 3546661

IUPACN-cycloheptyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(16-13-5-3-1-2-4-6-13)11-12-7-9-14(10-8-12)17(19)20/h7-10,13H,1-6,11H2,(H,16,18)
InChIKeyKNKFPYZDAJOHRH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.98
Rot. Bonds4

About N-cycloheptyl-2-(4-nitrophenyl)acetamide

N-cycloheptyl-2-(4-nitrophenyl)acetamide (PubChem CID 3546661) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-nitrophenyl)acetamide
PubChem CID3546661
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-cycloheptyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(16-13-5-3-1-2-4-6-13)11-12-7-9-14(10-8-12)17(19)20/h7-10,13H,1-6,11H2,(H,16,18)
InChIKeyKNKFPYZDAJOHRH-UHFFFAOYSA-N
XLogP2.98
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Methyl-4-nitrobenzamide
CID 347921
N-(5-Hydroxycarbamoyl-pentyl)-4-nitro-benzamide
CID 9943996
N-(cyclohexylmethyl)-4-nitrobenzamide
CID 2666713
N-(cyclohexylmethyl)-3-nitrobenzamide
CID 2989425
4-nitro-N-(2-phenylethyl)benzamide
CID 230117
Benzamide, N-[2-(4-nitrophenyl)ethyl]-
CID 913108
3-Acetamido-3-(4-nitrophenyl)propanoic acid
CID 2856612
3-nitro-N-(4-phenylbutyl)benzamide
CID 3106540
1-(4-Nitrobenzoyl)piperazine
CID 544791
N-isopropyl-2-nitrobenzamide
CID 738244
2-(2-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 2181642
N-cycloheptyl-2-(4-nitrophenyl)propanamide
CID 2944341

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-nitrophenyl)acetamide (CID 3546661) is N-cycloheptyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-nitrophenyl)acetamide?
The InChIKey is KNKFPYZDAJOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(16-13-5-3-1-2-4-6-13)11-12-7-9-14(10-8-12)17(19)20/h7-10,13H,1-6,11H2,(H,16,18).
What are the key properties of N-cycloheptyl-2-(4-nitrophenyl)acetamide?
N-cycloheptyl-2-(4-nitrophenyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3546661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).