N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide

C15H20N2O4 — CID 111425871

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,16,19)
InChIKeyAKTVGHVTOBRIIZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.18
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide (PubChem CID 111425871) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
PubChem CID111425871
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,16,19)
InChIKeyAKTVGHVTOBRIIZ-UHFFFAOYSA-N
XLogP2.18
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.18
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

N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
N-[2-(cycloheptylamino)ethyl]-3-methyl-5-nitrobenzamide;hydrochloride
CID 119621424
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide
CID 112701278
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111425705
N-(azetidin-3-yl)-3-methyl-5-nitrobenzamide
CID 112701331
3-methoxy-4-[(3-methyl-5-nitrobenzoyl)amino]butanoic acid
CID 103152628
N-[2-(2-hydroxyethyl)-4-methylpentyl]-3-methyl-5-nitrobenzamide
CID 111697440
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide (CID 111425871) is N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide is Cc1cc(C(=O)NCC(O)C2CCCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide?
The InChIKey is AKTVGHVTOBRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16-9-14(18)11-4-2-3-5-11/h6-8,11,14,18H,2-5,9H2,1H3,(H,16,19).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 111425871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).