N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide

C18H25N3O4 — CID 2969969

IUPACN-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-19(15-5-3-2-4-6-15)18(22)14-7-8-16(17(13-14)21(23)24)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyIHHSDQRHOKGQHM-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.84
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide

N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2969969) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2969969
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
SMILESCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-19(15-5-3-2-4-6-15)18(22)14-7-8-16(17(13-14)21(23)24)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3
InChIKeyIHHSDQRHOKGQHM-UHFFFAOYSA-N
XLogP2.84
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclohexyl-N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18204669
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 7111259
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55594956
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
[2-(cyclohexylamino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 7378611
3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 138624235
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
N-cyclobutyl-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 115649333
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide (CID 2969969) is N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide is CN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is IHHSDQRHOKGQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-19(15-5-3-2-4-6-15)18(22)14-7-8-16(17(13-14)21(23)24)20-9-11-25-12-10-20/h7-8,13,15H,2-6,9-12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide?
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2969969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).