(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide

C17H19N3O3 — CID 2111469

IUPAC(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-12(13-4-8-16(9-5-13)20(22)23)17(21)18-14-6-10-15(11-7-14)19(2)3/h4-12H,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyXVXNUIUGBKLTEF-GFCCVEGCSA-N
MW313.36 g/mol
LogP3.40
Rot. Bonds5

About (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide

(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide (PubChem CID 2111469) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
PubChem CID2111469
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-12(13-4-8-16(9-5-13)20(22)23)17(21)18-14-6-10-15(11-7-14)19(2)3/h4-12H,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyXVXNUIUGBKLTEF-GFCCVEGCSA-N
XLogP3.40
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
[(1S)-1-[4-(dimethylamino)phenyl]-2-[[2-(4-nitroanilino)-2-oxoacetyl]amino]ethyl]-dimethylazanium
CID 7639353
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
1-[4-(dimethylamino)phenyl]-3-[methyl-(4-nitrophenyl)-oxo-λ6-sulfanylidene]urea
CID 59550835
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
1-[(2S)-butan-2-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 94031767
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide (CID 2111469) is (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide?
The InChIKey is XVXNUIUGBKLTEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(13-4-8-16(9-5-13)20(22)23)17(21)18-14-6-10-15(11-7-14)19(2)3/h4-12H,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide?
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2111469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).