N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide

C18H25N3O4 — CID 17404169

IUPACN-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C18H25N3O4/c1-13-2-5-15(6-3-13)19-18(22)14-4-7-16(17(12-14)21(23)24)20-8-10-25-11-9-20/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,22)
InChIKeyUTRFFFMJEOFAEZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.74
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 17404169) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID17404169
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C18H25N3O4/c1-13-2-5-15(6-3-13)19-18(22)14-4-7-16(17(12-14)21(23)24)20-8-10-25-11-9-20/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,22)
InChIKeyUTRFFFMJEOFAEZ-UHFFFAOYSA-N
XLogP2.74
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
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-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27447562
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-cyclopropyl-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-3-nitrobenzamide
CID 133396299
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]azetidine-3-carboxylic acid
CID 122064632
N-butyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4805638
N-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-nitrobenzamide
CID 133410674
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate
CID 7378527
[2-(cyclohexylamino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 7378611

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 17404169) is N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide is CC1CCC(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is UTRFFFMJEOFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13-2-5-15(6-3-13)19-18(22)14-4-7-16(17(12-14)21(23)24)20-8-10-25-11-9-20/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H,19,22).
What are the key properties of N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 17404169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).