N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide

C13H21N3O3 — CID 77057561

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)CC(C)C(N)=NO)c1C
InChIInChI=1S/C13H21N3O3/c1-7(12(14)15-18)6-16(5)13(17)11-8(2)9(3)19-10(11)4/h7,18H,6H2,1-5H3,(H2,14,15)
InChIKeyVIMXWGPFXRNSOK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.66
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide (PubChem CID 77057561) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
PubChem CID77057561
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)N(C)CC(C)C(N)=NO)c1C
InChIInChI=1S/C13H21N3O3/c1-7(12(14)15-18)6-16(5)13(17)11-8(2)9(3)19-10(11)4/h7,18H,6H2,1-5H3,(H2,14,15)
InChIKeyVIMXWGPFXRNSOK-UHFFFAOYSA-N
XLogP1.66
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N-methylfuran-3-carboxamide
CID 106855764
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
CID 55059953
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 76910914
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide
CID 77057567

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide (CID 77057561) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)N(C)CC(C)C(N)=NO)c1C.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide?
The InChIKey is VIMXWGPFXRNSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(12(14)15-18)6-16(5)13(17)11-8(2)9(3)19-10(11)4/h7,18H,6H2,1-5H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide is sourced from PubChem (CID 77057561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).