2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide

C12H17N3O4 — CID 107744593

IUPAC2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H17N3O4/c1-3-12(13,4-2)11(17)14-9-7-8(15(18)19)5-6-10(9)16/h5-7,16H,3-4,13H2,1-2H3,(H,14,17)
InChIKeyLOMJOQUZNCIVMZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.76
Rot. Bonds5

About 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide

2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide (PubChem CID 107744593) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
PubChem CID107744593
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H17N3O4/c1-3-12(13,4-2)11(17)14-9-7-8(15(18)19)5-6-10(9)16/h5-7,16H,3-4,13H2,1-2H3,(H,14,17)
InChIKeyLOMJOQUZNCIVMZ-UHFFFAOYSA-N
XLogP1.76
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylbutanamide
CID 79797811
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17100127
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(aminomethyl)-N-(2-hydroxy-5-nitrophenyl)-4,4-dimethylpentanamide
CID 107744880
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide (CID 107744593) is 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide is CCC(N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide?
The InChIKey is LOMJOQUZNCIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-12(13,4-2)11(17)14-9-7-8(15(18)19)5-6-10(9)16/h5-7,16H,3-4,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide?
2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide has a molecular weight of 267.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(2-hydroxy-5-nitrophenyl)butanamide is sourced from PubChem (CID 107744593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).