N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide

C15H20N2O4 — CID 109399831

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2O)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16(2)9-11-4-3-5-14(11)18/h6-8,11,14,18H,3-5,9H2,1-2H3
InChIKeyADSABZRXNZYPRF-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.14
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide

N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide (PubChem CID 109399831) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide
PubChem CID109399831
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2O)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16(2)9-11-4-3-5-14(11)18/h6-8,11,14,18H,3-5,9H2,1-2H3
InChIKeyADSABZRXNZYPRF-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,4-dimethyl-3-nitrobenzamide
CID 109399669
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050
N-(2-cyanoethyl)-N,3-dimethyl-5-nitrobenzamide
CID 113227352
N-(2-cyanoethyl)-N-cyclopropyl-3-methyl-5-nitrobenzamide
CID 115642412
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 110003767
3-fluoro-N-methyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607775
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
(3-hydroxypyrrolidin-1-yl)-(3-methyl-5-nitrophenyl)methanone
CID 113396275
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
CID 111425871
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
CID 110003901
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400038

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide (CID 109399831) is N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide is Cc1cc(C(=O)N(C)CC2CCCC2O)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide?
The InChIKey is ADSABZRXNZYPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-6-12(8-13(7-10)17(20)21)15(19)16(2)9-11-4-3-5-14(11)18/h6-8,11,14,18H,3-5,9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-nitrobenzamide?
N-[(2-hydroxycyclopentyl)methyl]-N,3-dimethyl-5-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,3-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 109399831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).