N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide

C19H21N3O4 — CID 9148292

IUPACN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c23-19(16-7-4-8-17(13-16)22(24)25)20-18(15-5-2-1-3-6-15)14-21-9-11-26-12-10-21/h1-8,13,18H,9-12,14H2,(H,20,23)/t18-/m0/s1
InChIKeyZLZQWWLHOTXFCW-SFHVURJKSA-N
MW355.39 g/mol
LogP2.40
Rot. Bonds6

About N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide

N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide (PubChem CID 9148292) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
PubChem CID9148292
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
SMILESO=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c23-19(16-7-4-8-17(13-16)22(24)25)20-18(15-5-2-1-3-6-15)14-21-9-11-26-12-10-21/h1-8,13,18H,9-12,14H2,(H,20,23)/t18-/m0/s1
InChIKeyZLZQWWLHOTXFCW-SFHVURJKSA-N
XLogP2.40
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.40
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-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
methyl (3R)-3-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 40856388
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide?
The IUPAC name of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide (CID 9148292) is N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide?
The canonical SMILES for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide is O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide?
The InChIKey is ZLZQWWLHOTXFCW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-19(16-7-4-8-17(13-16)22(24)25)20-18(15-5-2-1-3-6-15)14-21-9-11-26-12-10-21/h1-8,13,18H,9-12,14H2,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide?
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide has a molecular weight of 355.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide is sourced from PubChem (CID 9148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).