N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide

C11H17N3O3 — CID 77036852

IUPACN-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)o1
InChIInChI=1S/C11H17N3O3/c1-8-5-6-9(17-8)11(15)13-7-3-2-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQSBPHAOMKHIKPK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.23
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide

N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide (PubChem CID 77036852) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
PubChem CID77036852
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)o1
InChIInChI=1S/C11H17N3O3/c1-8-5-6-9(17-8)11(15)13-7-3-2-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQSBPHAOMKHIKPK-UHFFFAOYSA-N
XLogP1.23
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
CID 107725672
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide (CID 77036852) is N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCCCCC(N)=NO)o1.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide?
The InChIKey is QSBPHAOMKHIKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-5-6-9(17-8)11(15)13-7-3-2-4-10(12)14-16/h5-6,16H,2-4,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide?
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 77036852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).