N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide

C16H23N3O4 — CID 30379685

IUPACN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
SMILESCC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-12(2)15(18-7-9-23-10-8-18)11-17-16(20)13-3-5-14(6-4-13)19(21)22/h3-6,12,15H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyREFAJDSJWIUTIV-HNNXBMFYSA-N
MW321.38 g/mol
LogP1.68
Rot. Bonds6

About N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide

N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide (PubChem CID 30379685) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
PubChem CID30379685
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
SMILESCC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C16H23N3O4/c1-12(2)15(18-7-9-23-10-8-18)11-17-16(20)13-3-5-14(6-4-13)19(21)22/h3-6,12,15H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyREFAJDSJWIUTIV-HNNXBMFYSA-N
XLogP1.68
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[(3-methyl-2-morpholin-4-ylbutyl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 55519085
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-5-nitropyridin-2-amine
CID 94825522
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 47045238
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 52502885
N-ethyl-4-[[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111930174

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide?
The IUPAC name of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide (CID 30379685) is N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide?
The canonical SMILES for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide is CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide?
The InChIKey is REFAJDSJWIUTIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12(2)15(18-7-9-23-10-8-18)11-17-16(20)13-3-5-14(6-4-13)19(21)22/h3-6,12,15H,7-11H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide?
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide has a molecular weight of 321.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide is sourced from PubChem (CID 30379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).