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

C14H21N3O3 — CID 103928945

IUPAC(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
SMILESCCc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-5-9-6-7-10(8-11(9)17(19)20)16-13(18)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyQYVHHNDRVLERKM-LBPRGKRZSA-N
MW279.34 g/mol
LogP2.47
Rot. Bonds4

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

(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide (PubChem CID 103928945) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
PubChem CID103928945
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
SMILESCCc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-5-9-6-7-10(8-11(9)17(19)20)16-13(18)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyQYVHHNDRVLERKM-LBPRGKRZSA-N
XLogP2.47
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
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

2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
N-(4-ethyl-3-nitrophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196522
2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
CID 86925247
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide (CID 103928945) is (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide is CCc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide?
The InChIKey is QYVHHNDRVLERKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-9-6-7-10(8-11(9)17(19)20)16-13(18)12(15)14(2,3)4/h6-8,12H,5,15H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).