N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide

C19H27N3O3 — CID 2959407

IUPACN-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H27N3O3/c23-19(21-16-9-5-2-6-10-16)14-11-12-17(18(13-14)22(24)25)20-15-7-3-1-4-8-15/h11-13,15-16,20H,1-10H2,(H,21,23)
InChIKeyHXONRUDROVDYLH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.40
Rot. Bonds5

About N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide

N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide (PubChem CID 2959407) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
PubChem CID2959407
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H27N3O3/c23-19(21-16-9-5-2-6-10-16)14-11-12-17(18(13-14)22(24)25)20-15-7-3-1-4-8-15/h11-13,15-16,20H,1-10H2,(H,21,23)
InChIKeyHXONRUDROVDYLH-UHFFFAOYSA-N
XLogP4.40
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
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

4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
CID 26131147
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
[2-(cyclopentylamino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
CID 7650106
N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide
CID 2969865
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide (CID 2959407) is N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide is O=C(NC1CCCCC1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide?
The InChIKey is HXONRUDROVDYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(21-16-9-5-2-6-10-16)14-11-12-17(18(13-14)22(24)25)20-15-7-3-1-4-8-15/h11-13,15-16,20H,1-10H2,(H,21,23).
What are the key properties of N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide?
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide has a molecular weight of 345.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide is sourced from PubChem (CID 2959407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).