N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H18N2O4 — CID 5069648

IUPACN-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C
InChIInChI=1S/C14H18N2O4/c1-13(2)11(14(13,3)4)12(18)15-9-7-8(16(19)20)5-6-10(9)17/h5-7,11,17H,1-4H3,(H,15,18)
InChIKeyYMCYSOHGNFNVCR-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.92
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 5069648) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID5069648
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C
InChIInChI=1S/C14H18N2O4/c1-13(2)11(14(13,3)4)12(18)15-9-7-8(16(19)20)5-6-10(9)17/h5-7,11,17H,1-4H3,(H,15,18)
InChIKeyYMCYSOHGNFNVCR-UHFFFAOYSA-N
XLogP2.92
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
CID 103894364
2-bromo-N-(2-hydroxy-5-nitrophenyl)butanamide
CID 56766376
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 17100127
N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103602356
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 5069648) is N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1(C)C.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is YMCYSOHGNFNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-13(2)11(14(13,3)4)12(18)15-9-7-8(16(19)20)5-6-10(9)17/h5-7,11,17H,1-4H3,(H,15,18).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 5069648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).