N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide

C16H23N3O4 — CID 51254591

IUPACN-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-23-10-9-17-14-8-7-12(11-15(14)19(21)22)16(20)18-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyYYIDADKMBDBPFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.72
Rot. Bonds7

About N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide

N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 51254591) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID51254591
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-23-10-9-17-14-8-7-12(11-15(14)19(21)22)16(20)18-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyYYIDADKMBDBPFK-UHFFFAOYSA-N
XLogP2.72
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
N-cyclohexyl-4-[2-(2,5-dioxopyrrolidin-1-yl)ethylamino]-3-nitrobenzamide
CID 2969865
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
N-cyclopropyl-1-[4-(2-methoxyethylamino)-3-nitrobenzoyl]piperidine-4-carboxamide
CID 55904913
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone
CID 9489586
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
4-[2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]ethylamino]-N-cyclohexyl-3-nitrobenzamide
CID 27105632
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-(2-methoxyethylamino)-3-nitrobenzoate
CID 55459486
4-(ethylamino)-3-nitro-N-(thian-4-yl)benzamide
CID 115599746
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 51254591) is N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is YYIDADKMBDBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-23-10-9-17-14-8-7-12(11-15(14)19(21)22)16(20)18-13-5-3-2-4-6-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 51254591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).