4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide

C20H32N4O4 — CID 46407135

IUPAC4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C20H32N4O4/c1-5-15(6-2)19(23-9-11-28-12-10-23)14-21-20(25)16-7-8-17(22(3)4)18(13-16)24(26)27/h7-8,13,15,19H,5-6,9-12,14H2,1-4H3,(H,21,25)
InChIKeyLKGAQAGCPCGELB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.53
Rot. Bonds9

About 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide

4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide (PubChem CID 46407135) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
PubChem CID46407135
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
SMILESCCC(CC)C(CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C20H32N4O4/c1-5-15(6-2)19(23-9-11-28-12-10-23)14-21-20(25)16-7-8-17(22(3)4)18(13-16)24(26)27/h7-8,13,15,19H,5-6,9-12,14H2,1-4H3,(H,21,25)
InChIKeyLKGAQAGCPCGELB-UHFFFAOYSA-N
XLogP2.53
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.53
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

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzamide
CID 7496900
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51887858
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide?
The IUPAC name of 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide (CID 46407135) is 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide is CCC(CC)C(CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide?
The InChIKey is LKGAQAGCPCGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-5-15(6-2)19(23-9-11-28-12-10-23)14-21-20(25)16-7-8-17(22(3)4)18(13-16)24(26)27/h7-8,13,15,19H,5-6,9-12,14H2,1-4H3,(H,21,25).
What are the key properties of 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide?
4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide has a molecular weight of 392.50 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide is sourced from PubChem (CID 46407135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).