N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide

C14H21N3O3 — CID 76953556

IUPACN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(OCC(N)=NO)c1
InChIInChI=1S/C14H21N3O3/c1-4-14(2,3)13(18)16-10-6-5-7-11(8-10)20-9-12(15)17-19/h5-8,19H,4,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVMNUUMOJPBMYEV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide

N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide (PubChem CID 76953556) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
PubChem CID76953556
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(OCC(N)=NO)c1
InChIInChI=1S/C14H21N3O3/c1-4-14(2,3)13(18)16-10-6-5-7-11(8-10)20-9-12(15)17-19/h5-8,19H,4,9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyVMNUUMOJPBMYEV-UHFFFAOYSA-N
XLogP2.19
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 76930127
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 76983796
N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
CID 81330665
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
3-amino-N-[3-(2-methoxyethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119723463
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 76988854
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide (CID 76953556) is N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cccc(OCC(N)=NO)c1.
What is the InChIKey of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide?
The InChIKey is VMNUUMOJPBMYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-14(2,3)13(18)16-10-6-5-7-11(8-10)20-9-12(15)17-19/h5-8,19H,4,9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide?
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 76953556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).