N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide

C13H21N3O3 — CID 77057567

IUPACN-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H21N3O3/c1-5-6-16(7-11(14)15-18)13(17)12-8(2)9(3)19-10(12)4/h18H,5-7H2,1-4H3,(H2,14,15)
InChIKeyXHPWLEVRANXVMK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.80
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide (PubChem CID 77057567) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide
PubChem CID77057567
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H21N3O3/c1-5-6-16(7-11(14)15-18)13(17)12-8(2)9(3)19-10(12)4/h18H,5-7H2,1-4H3,(H2,14,15)
InChIKeyXHPWLEVRANXVMK-UHFFFAOYSA-N
XLogP1.80
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.80
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-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984
N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
CID 76927706
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
CID 106863360
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
N-(2-cyanoethyl)-N-ethyl-2,4,5-trimethylfuran-3-carboxamide
CID 65153233
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 77113397
N-(2-amino-2-hydroxyiminoethyl)-2-chloro-4-fluoro-N-propylbenzamide
CID 76927767

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide (CID 77057567) is N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide is CCCN(CC(N)=NO)C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide?
The InChIKey is XHPWLEVRANXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-16(7-11(14)15-18)13(17)12-8(2)9(3)19-10(12)4/h18H,5-7H2,1-4H3,(H2,14,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.80, 5 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)-2,4,5-trimethyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 77057567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).