N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide

C15H20N2O5 — CID 99718479

IUPACN-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O5/c1-10-4-2-3-5-14(10)22-9-15(19)16-11-6-7-13(18)12(8-11)17(20)21/h6-8,10,14,18H,2-5,9H2,1H3,(H,16,19)/t10-,14+/m0/s1
InChIKeyWXVKNURWMZKPHR-IINYFYTJSA-N
MW308.33 g/mol
LogP2.83
Rot. Bonds5

About N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide

N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide (PubChem CID 99718479) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
PubChem CID99718479
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O5/c1-10-4-2-3-5-14(10)22-9-15(19)16-11-6-7-13(18)12(8-11)17(20)21/h6-8,10,14,18H,2-5,9H2,1H3,(H,16,19)/t10-,14+/m0/s1
InChIKeyWXVKNURWMZKPHR-IINYFYTJSA-N
XLogP2.83
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 96532780
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 8890661
2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
CID 119235612
N-[5-[(2-hydroxy-5-nitrophenyl)methylamino]-2-pyridinyl]-2-(3-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 70040612
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 97092276
3-[[2-(2-methylcyclohexyl)oxyacetyl]amino]-5-methylsulfonylbenzoic acid
CID 119257901
2-[(1S,2R)-2-methylcyclohexyl]oxy-N-[3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 99705166

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide (CID 99718479) is N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide is C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The InChIKey is WXVKNURWMZKPHR-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-4-2-3-5-14(10)22-9-15(19)16-11-6-7-13(18)12(8-11)17(20)21/h6-8,10,14,18H,2-5,9H2,1H3,(H,16,19)/t10-,14+/m0/s1.
What are the key properties of N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide has a molecular weight of 308.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 99718479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).