(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide

C13H18N2O3 — CID 966380

IUPAC(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-9(12(16)14-13(2,3)4)10-5-7-11(8-6-10)15(17)18/h5-9H,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyVWYFAJPLIGIXPH-SECBINFHSA-N
MW250.30 g/mol
LogP2.61
Rot. Bonds3

About (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide

(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide (PubChem CID 966380) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
PubChem CID966380
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O3/c1-9(12(16)14-13(2,3)4)10-5-7-11(8-6-10)15(17)18/h5-9H,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyVWYFAJPLIGIXPH-SECBINFHSA-N
XLogP2.61
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

dimethyl 2-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioate
CID 11372009
N-tert-butyl-2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 112687594
2-methyl-2-[1-(4-nitrophenyl)ethylamino]propanamide
CID 61219970
[(1S)-1-[4-(4-nitroanilino)phenyl]ethyl] N-tert-butylcarbamate
CID 175390173
tert-butyl N-[(1S)-1-(4-nitrophenyl)ethyl]carbamate
CID 54477088
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide (CID 966380) is (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide is C[C@@H](C(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide?
The InChIKey is VWYFAJPLIGIXPH-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(12(16)14-13(2,3)4)10-5-7-11(8-6-10)15(17)18/h5-9H,1-4H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide?
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 966380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).