4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide

C20H29N3O5 — CID 39752666

IUPAC4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H29N3O5/c1-2-28-18-7-6-16(14-17(18)23(25)26)19(24)21-15-20(8-4-3-5-9-20)22-10-12-27-13-11-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,24)
InChIKeyUDFXDIIXXWHZRJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.76
Rot. Bonds7

About 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide

4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide (PubChem CID 39752666) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
PubChem CID39752666
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H29N3O5/c1-2-28-18-7-6-16(14-17(18)23(25)26)19(24)21-15-20(8-4-3-5-9-20)22-10-12-27-13-11-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,24)
InChIKeyUDFXDIIXXWHZRJ-UHFFFAOYSA-N
XLogP2.76
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
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'}

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Related Compounds

3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
4-chloro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzamide
CID 18150649
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35614054
2-ethoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]naphthalene-1-carboxamide
CID 139028044
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide (CID 39752666) is 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide is CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
The InChIKey is UDFXDIIXXWHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-2-28-18-7-6-16(14-17(18)23(25)26)19(24)21-15-20(8-4-3-5-9-20)22-10-12-27-13-11-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,24).
What are the key properties of 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide?
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide has a molecular weight of 391.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 39752666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).