N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide

C15H22N2O3 — CID 24689546

IUPACN-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
SMILESCC/C(=N\O)c1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-5-12(17-19)11-8-6-7-9-13(11)20-10-14(18)16-15(2,3)4/h6-9,19H,5,10H2,1-4H3,(H,16,18)/b17-12+
InChIKeyKPGZJGRHXAZEDQ-SFQUDFHCSA-N
MW278.35 g/mol
LogP2.57
Rot. Bonds5

About N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide

N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide (PubChem CID 24689546) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
PubChem CID24689546
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
SMILESCC/C(=N\O)c1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-5-12(17-19)11-8-6-7-9-13(11)20-10-14(18)16-15(2,3)4/h6-9,19H,5,10H2,1-4H3,(H,16,18)/b17-12+
InChIKeyKPGZJGRHXAZEDQ-SFQUDFHCSA-N
XLogP2.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 24691151
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide
CID 91962570
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 1313364
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide (CID 24689546) is N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide is CC/C(=N\O)c1ccccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide?
The InChIKey is KPGZJGRHXAZEDQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-12(17-19)11-8-6-7-9-13(11)20-10-14(18)16-15(2,3)4/h6-9,19H,5,10H2,1-4H3,(H,16,18)/b17-12+.
What are the key properties of N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide?
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide is sourced from PubChem (CID 24689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).