N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide

C19H24N4O5 — CID 2969865

IUPACN-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O5/c24-17-8-9-18(25)22(17)11-10-20-15-7-6-13(12-16(15)23(27)28)19(26)21-14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2,(H,21,26)
InChIKeyXZIAGGVMEJZXRB-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.22
Rot. Bonds7

About N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide

N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide (PubChem CID 2969865) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide
PubChem CID2969865
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O5/c24-17-8-9-18(25)22(17)11-10-20-15-7-6-13(12-16(15)23(27)28)19(26)21-14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2,(H,21,26)
InChIKeyXZIAGGVMEJZXRB-UHFFFAOYSA-N
XLogP2.22
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]ethylamino]-N-cyclohexyl-3-nitrobenzamide
CID 27105632
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(2-cyclohexylethylamino)-3-nitrobenzoic acid
CID 63538491
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
CID 115599746
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-cyclopropyl-3-nitro-4-[(2-piperidin-1-ylphenyl)methylamino]benzamide
CID 133439652
4-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]ethylamino]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 51560670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide (CID 2969865) is N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide is O=C(NC1CCCCC1)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide?
The InChIKey is XZIAGGVMEJZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c24-17-8-9-18(25)22(17)11-10-20-15-7-6-13(12-16(15)23(27)28)19(26)21-14-4-2-1-3-5-14/h6-7,12,14,20H,1-5,8-11H2,(H,21,26).
What are the key properties of N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide?
N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide has a molecular weight of 388.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide is sourced from PubChem (CID 2969865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).