2-morpholin-4-yl-5-nitro-N-pentylbenzamide

C16H23N3O4 — CID 29196205

IUPAC2-morpholin-4-yl-5-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-2-3-4-7-17-16(20)14-12-13(19(21)22)5-6-15(14)18-8-10-23-11-9-18/h5-6,12H,2-4,7-11H2,1H3,(H,17,20)
InChIKeyCGHYWILIRMGMGF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.35
Rot. Bonds7

About 2-morpholin-4-yl-5-nitro-N-pentylbenzamide

2-morpholin-4-yl-5-nitro-N-pentylbenzamide (PubChem CID 29196205) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-pentylbenzamide
PubChem CID29196205
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-morpholin-4-yl-5-nitro-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-2-3-4-7-17-16(20)14-12-13(19(21)22)5-6-15(14)18-8-10-23-11-9-18/h5-6,12H,2-4,7-11H2,1H3,(H,17,20)
InChIKeyCGHYWILIRMGMGF-UHFFFAOYSA-N
XLogP2.35
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55782073
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
2-morpholin-4-yl-5-nitro-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55911542
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
CID 78809781
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55595517
N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 7409532
N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55600348
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 40716543
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-pentylbenzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-pentylbenzamide (CID 29196205) is 2-morpholin-4-yl-5-nitro-N-pentylbenzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-pentylbenzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-pentylbenzamide is CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-pentylbenzamide?
The InChIKey is CGHYWILIRMGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-2-3-4-7-17-16(20)14-12-13(19(21)22)5-6-15(14)18-8-10-23-11-9-18/h5-6,12H,2-4,7-11H2,1H3,(H,17,20).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-pentylbenzamide?
2-morpholin-4-yl-5-nitro-N-pentylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-pentylbenzamide is sourced from PubChem (CID 29196205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).