N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide

C19H23N3O5 — CID 41453308

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H23N3O5/c1-21(2)16(13-8-6-5-7-9-13)12-20-19(23)14-10-17(26-3)18(27-4)11-15(14)22(24)25/h5-11,16H,12H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyKIFZVSJPJYRGDT-INIZCTEOSA-N
MW373.41 g/mol
LogP2.64
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide (PubChem CID 41453308) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
PubChem CID41453308
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H23N3O5/c1-21(2)16(13-8-6-5-7-9-13)12-20-19(23)14-10-17(26-3)18(27-4)11-15(14)22(24)25/h5-11,16H,12H2,1-4H3,(H,20,23)/t16-/m0/s1
InChIKeyKIFZVSJPJYRGDT-INIZCTEOSA-N
XLogP2.64
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 30834319
N-(2-amino-2-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511
N-(2-hydroxy-3-phenylpropyl)-4,5-dimethoxy-2-nitrobenzamide
CID 90534423
N-[2-(dimethylamino)-2-phenylethyl]-2,3,4-trifluoro-5-nitrobenzamide
CID 110312851
4,5-dimethoxy-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120833156
4-ethoxy-5-methoxy-2-nitro-N-(1-phenylethyl)benzamide
CID 51217068
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793
5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 112764505
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 45001824
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
CID 27229559
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide (CID 41453308) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide is COc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide?
The InChIKey is KIFZVSJPJYRGDT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-21(2)16(13-8-6-5-7-9-13)12-20-19(23)14-10-17(26-3)18(27-4)11-15(14)22(24)25/h5-11,16H,12H2,1-4H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide is sourced from PubChem (CID 41453308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).