N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide

C12H19N3O3 — CID 114103840

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-4-9-8(5-6-18-9)10(16)14-7-12(2,3)11(13)15-17/h5-6,17H,4,7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyKYHKYQKLDHJNPA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.34
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide (PubChem CID 114103840) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
PubChem CID114103840
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
SMILESCCc1occc1C(=O)NCC(C)(C)/C(N)=N/O
InChIInChI=1S/C12H19N3O3/c1-4-9-8(5-6-18-9)10(16)14-7-12(2,3)11(13)15-17/h5-6,17H,4,7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyKYHKYQKLDHJNPA-UHFFFAOYSA-N
XLogP1.34
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.34
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

N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
N-cycloheptyl-2-methylfuran-3-carboxamide
CID 874225
2-methyl-N-(3-phenylpropyl)furan-3-carboxamide
CID 2165345
N-cyclooctyl-2-methyl-3-furamide
CID 903212
2-methyl-N-{4-[(2-methyl-3-furoyl)amino]butyl}-3-furamide
CID 1744516
2-methyl-N-(1-methylhexyl)-3-furamide
CID 4082205
2-methyl-N-undecyl-3-furamide
CID 4996861
2-methyl-N-(1,2,2-trimethylpropyl)-3-furamide
CID 2970515
3-[1-(2,5-Dimethylfuran-3-YL)-N-(2-methylpropyl)formamido]-N-(3-methoxypropyl)propanamide
CID 3680137
N-(2-benzamidoethyl)-2-methylfuran-3-carboxamide
CID 25468960
1-(2,5-dimethylfuran-3-carbonyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
CID 46948207

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide (CID 114103840) is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide is CCc1occc1C(=O)NCC(C)(C)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide?
The InChIKey is KYHKYQKLDHJNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-9-8(5-6-18-9)10(16)14-7-12(2,3)11(13)15-17/h5-6,17H,4,7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide is sourced from PubChem (CID 114103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).