4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

C17H19N3O4 — CID 40952744

IUPAC4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O4/c1-19(2)14-7-5-13(6-8-14)17(22)18-11-16(21)12-3-9-15(10-4-12)20(23)24/h3-10,16,21H,11H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeySPVLEBZQAXVMNK-INIZCTEOSA-N
MW329.36 g/mol
LogP2.12
Rot. Bonds6

About 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide

4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 40952744) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
PubChem CID40952744
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
SMILESCN(C)c1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O4/c1-19(2)14-7-5-13(6-8-14)17(22)18-11-16(21)12-3-9-15(10-4-12)20(23)24/h3-10,16,21H,11H2,1-2H3,(H,18,22)/t16-/m0/s1
InChIKeySPVLEBZQAXVMNK-INIZCTEOSA-N
XLogP2.12
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
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'}

Analyze 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-nitrobenzamide
CID 90581439
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-4-nitrobenzamide
CID 7497193
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]benzamide
CID 42908904
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 43004372
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702488

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide (CID 40952744) is 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is CN(C)c1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is SPVLEBZQAXVMNK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19(2)14-7-5-13(6-8-14)17(22)18-11-16(21)12-3-9-15(10-4-12)20(23)24/h3-10,16,21H,11H2,1-2H3,(H,18,22)/t16-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide?
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 40952744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).