N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide

C14H21N3O3 — CID 77038100

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CC(N)=NO)C2CCCC2)c(C)o1
InChIInChI=1S/C14H21N3O3/c1-9-7-12(10(2)20-9)14(18)17(8-13(15)16-19)11-5-3-4-6-11/h7,11,19H,3-6,8H2,1-2H3,(H2,15,16)
InChIKeyHIYPOUQJIQREOJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 77038100) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
PubChem CID77038100
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CC(N)=NO)C2CCCC2)c(C)o1
InChIInChI=1S/C14H21N3O3/c1-9-7-12(10(2)20-9)14(18)17(8-13(15)16-19)11-5-3-4-6-11/h7,11,19H,3-6,8H2,1-2H3,(H2,15,16)
InChIKeyHIYPOUQJIQREOJ-UHFFFAOYSA-N
XLogP2.03
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922552
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide (CID 77038100) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CC(N)=NO)C2CCCC2)c(C)o1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HIYPOUQJIQREOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-12(10(2)20-9)14(18)17(8-13(15)16-19)11-5-3-4-6-11/h7,11,19H,3-6,8H2,1-2H3,(H2,15,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 77038100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).