N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide

C18H28N4O4 — CID 110839509

IUPACN-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H28N4O4/c1-3-20(4-2)9-5-8-19-18(23)15-6-7-16(17(14-15)22(24)25)21-10-12-26-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23)
InChIKeyMSRKQLYOWMWQQL-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.89
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 110839509) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID110839509
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H28N4O4/c1-3-20(4-2)9-5-8-19-18(23)15-6-7-16(17(14-15)22(24)25)21-10-12-26-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23)
InChIKeyMSRKQLYOWMWQQL-UHFFFAOYSA-N
XLogP1.89
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
N-butyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4805638
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962122
4-chloro-N-[3-(diethylamino)propyl]-3,5-dinitrobenzamide
CID 4634092
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 110839509) is N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide is CCN(CC)CCCNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is MSRKQLYOWMWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-3-20(4-2)9-5-8-19-18(23)15-6-7-16(17(14-15)22(24)25)21-10-12-26-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,19,23).
What are the key properties of N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 364.45 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 110839509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).