2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide

C21H26N4O4 — CID 55906043

IUPAC2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c1-23(2)20-8-7-18(25(27)28)15-19(20)21(26)22-17-5-3-16(4-6-17)9-10-24-11-13-29-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyBGYYIZMBBNUIHC-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.79
Rot. Bonds7

About 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide

2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide (PubChem CID 55906043) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide
PubChem CID55906043
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26N4O4/c1-23(2)20-8-7-18(25(27)28)15-19(20)21(26)22-17-5-3-16(4-6-17)9-10-24-11-13-29-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,22,26)
InChIKeyBGYYIZMBBNUIHC-UHFFFAOYSA-N
XLogP2.79
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495180
3-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-nitrobenzamide
CID 55905910
2-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495181
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
5-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55906179
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 170869990
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55341891
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-(dimethylamino)-5-nitro-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]benzamide
CID 95328311
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 4850521
2-(dimethylamino)-5-nitro-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074533

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide (CID 55906043) is 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide?
The InChIKey is BGYYIZMBBNUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-23(2)20-8-7-18(25(27)28)15-19(20)21(26)22-17-5-3-16(4-6-17)9-10-24-11-13-29-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide?
2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide has a molecular weight of 398.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 55906043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).