N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide

C18H21N3O3 — CID 27229559

IUPACN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O3/c1-13-8-7-11-15(17(13)21(23)24)18(22)19-12-16(20(2)3)14-9-5-4-6-10-14/h4-11,16H,12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyWOJRJBPOICSLLK-INIZCTEOSA-N
MW327.38 g/mol
LogP2.94
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide (PubChem CID 27229559) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
PubChem CID27229559
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O3/c1-13-8-7-11-15(17(13)21(23)24)18(22)19-12-16(20(2)3)14-9-5-4-6-10-14/h4-11,16H,12H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyWOJRJBPOICSLLK-INIZCTEOSA-N
XLogP2.94
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-2-nitrobenzamide
CID 55369445
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-2-nitrobenzamide
CID 18161703
3-methyl-2-[[(3-methyl-2-nitrobenzoyl)amino]methyl]butanoic acid
CID 65220242
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085
N-(2-chloro-3-methylbutyl)-3-methyl-2-nitrobenzamide
CID 113492952
3-methyl-N-[2-methyl-3-(methylamino)propyl]-2-nitrobenzamide
CID 81478230
3-[[(3-methyl-2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067020
N-[2-(dimethylamino)-2-phenylethyl]-2,3,4-trifluoro-5-nitrobenzamide
CID 110312851
N-(4-hydroxy-2-methylbutyl)-3-methyl-2-nitrobenzamide
CID 66108848
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methyl-2-nitrobenzamide
CID 78866877
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide (CID 27229559) is N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide?
The InChIKey is WOJRJBPOICSLLK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-7-11-15(17(13)21(23)24)18(22)19-12-16(20(2)3)14-9-5-4-6-10-14/h4-11,16H,12H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide?
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 27229559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).