N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide

C17H23N3O5 — CID 78767414

IUPACN-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H23N3O5/c21-14-4-1-12(2-5-14)18-17(22)15-11-13(20(23)24)3-6-16(15)19-7-9-25-10-8-19/h3,6,11-12,14,21H,1-2,4-5,7-10H2,(H,18,22)
InChIKeyCFIYYZFFGHXKCF-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.46
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 78767414) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID78767414
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H23N3O5/c21-14-4-1-12(2-5-14)18-17(22)15-11-13(20(23)24)3-6-16(15)19-7-9-25-10-8-19/h3,6,11-12,14,21H,1-2,4-5,7-10H2,(H,18,22)
InChIKeyCFIYYZFFGHXKCF-UHFFFAOYSA-N
XLogP1.46
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
CID 78809781
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
2-(4-hydroxypiperidin-1-yl)-5-nitrobenzoic acid
CID 26597780
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 78767627
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 78767414) is N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide is O=C(NC1CCC(O)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is CFIYYZFFGHXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c21-14-4-1-12(2-5-14)18-17(22)15-11-13(20(23)24)3-6-16(15)19-7-9-25-10-8-19/h3,6,11-12,14,21H,1-2,4-5,7-10H2,(H,18,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 349.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 78767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).