N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide

C15H20N2O4 — CID 109399669

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-6-7-11(8-13(10)17(20)21)15(19)16(2)9-12-4-3-5-14(12)18/h6-8,12,14,18H,3-5,9H2,1-2H3
InChIKeyUMFOCDZRBTUDDU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.14
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide

N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide (PubChem CID 109399669) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
PubChem CID109399669
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCC2O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-10-6-7-11(8-13(10)17(20)21)15(19)16(2)9-12-4-3-5-14(12)18/h6-8,12,14,18H,3-5,9H2,1-2H3
InChIKeyUMFOCDZRBTUDDU-UHFFFAOYSA-N
XLogP2.14
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
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-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide
CID 109399831
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-nitrobenzamide
CID 99637269
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-4-nitrobenzamide
CID 62856100
N-[2-(chloromethyl)cyclopentyl]-4-methyl-3-nitrobenzamide
CID 106365876
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
3-amino-N-(cyclohexylmethyl)-N-methyl-4-nitrobenzamide
CID 62681600

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide (CID 109399669) is N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide is Cc1ccc(C(=O)N(C)CC2CCCC2O)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide?
The InChIKey is UMFOCDZRBTUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-6-7-11(8-13(10)17(20)21)15(19)16(2)9-12-4-3-5-14(12)18/h6-8,12,14,18H,3-5,9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide?
N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 109399669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).