N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

C19H22N2O5 — CID 7931927

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-4-13(2)14-5-7-15(8-6-14)20-19(22)12-26-18-11-16(21(23)24)9-10-17(18)25-3/h5-11,13H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyOMNZMHMWWUNYRR-CYBMUJFWSA-N
MW358.39 g/mol
LogP4.13
Rot. Bonds8

About N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 7931927) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID7931927
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C19H22N2O5/c1-4-13(2)14-5-7-15(8-6-14)20-19(22)12-26-18-11-16(21(23)24)9-10-17(18)25-3/h5-11,13H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyOMNZMHMWWUNYRR-CYBMUJFWSA-N
XLogP4.13
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931889
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132278
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 2615459
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931756
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 7931927) is N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is CC[C@@H](C)c1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is OMNZMHMWWUNYRR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-13(2)14-5-7-15(8-6-14)20-19(22)12-26-18-11-16(21(23)24)9-10-17(18)25-3/h5-11,13H,4,12H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 358.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 7931927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).