(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide

C13H19N3O4 — CID 103928804

IUPAC(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)11(14)12(17)15-9-6-5-8(20-4)7-10(9)16(18)19/h5-7,11H,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyVHGPWXGMDGGDIU-NSHDSACASA-N
MW281.31 g/mol
LogP1.92
Rot. Bonds4

About (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide (PubChem CID 103928804) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
PubChem CID103928804
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O4/c1-13(2,3)11(14)12(17)15-9-6-5-8(20-4)7-10(9)16(18)19/h5-7,11H,14H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyVHGPWXGMDGGDIU-NSHDSACASA-N
XLogP1.92
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.92
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'}

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Related Compounds

(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2S)-2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylsulfanylbutanamide
CID 61178396
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N,N'-bis(4-methoxy-2-nitrophenyl)-2-phenylpropanediamide
CID 3394012
2-(aminomethyl)-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 65225157
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide (CID 103928804) is (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide is COc1ccc(NC(=O)[C@H](N)C(C)(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide?
The InChIKey is VHGPWXGMDGGDIU-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O4/c1-13(2,3)11(14)12(17)15-9-6-5-8(20-4)7-10(9)16(18)19/h5-7,11H,14H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide has a molecular weight of 281.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).