N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide

C17H22N2O3 — CID 71897935

IUPACN-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CC1
InChIInChI=1S/C17H22N2O3/c20-17(12-13-6-8-16(9-7-13)19(21)22)18(15-10-11-15)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-12H2
InChIKeyWESABSVACYSXHO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.46
Rot. Bonds5

About N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide

N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide (PubChem CID 71897935) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide
PubChem CID71897935
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CC1
InChIInChI=1S/C17H22N2O3/c20-17(12-13-6-8-16(9-7-13)19(21)22)18(15-10-11-15)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-12H2
InChIKeyWESABSVACYSXHO-UHFFFAOYSA-N
XLogP3.46
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
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-N-[(4-nitrophenyl)methyl]cyclohexanamine
CID 757291
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
N-methyl-2-(4-nitrophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878015
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
potassium 2-(4-nitrophenyl)acetate
CID 15261201
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
1-(4-cyclohexylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CID 1247704
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 61488726

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide (CID 71897935) is N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CCCCC1)C1CC1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The InChIKey is WESABSVACYSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-17(12-13-6-8-16(9-7-13)19(21)22)18(15-10-11-15)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-12H2.
What are the key properties of N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide?
N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 71897935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).