2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide

C18H20N2O5 — CID 5415947

IUPAC2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C18H20N2O5/c1-3-12(2)14-6-4-5-7-17(14)25-11-18(22)19-15-10-13(20(23)24)8-9-16(15)21/h4-10,12,21H,3,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyGTIOUOABDNOUQH-LBPRGKRZSA-N
MW344.37 g/mol
LogP3.83
Rot. Bonds7

About 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 5415947) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID5415947
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C18H20N2O5/c1-3-12(2)14-6-4-5-7-17(14)25-11-18(22)19-15-10-13(20(23)24)8-9-16(15)21/h4-10,12,21H,3,11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyGTIOUOABDNOUQH-LBPRGKRZSA-N
XLogP3.83
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
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

N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
N-(2-hydroxy-5-nitrophenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17342422
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028
N-(2-hydroxy-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17342416
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoate
CID 6949018
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 5415947) is 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide is CC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is GTIOUOABDNOUQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-12(2)14-6-4-5-7-17(14)25-11-18(22)19-15-10-13(20(23)24)8-9-16(15)21/h4-10,12,21H,3,11H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 5415947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).