N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide

C12H17N3O4 — CID 107725672

IUPACN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
SMILESN/C(CCCCNC(=O)c1ccc(O)cc1O)=N/O
InChIInChI=1S/C12H17N3O4/c13-11(15-19)3-1-2-6-14-12(18)9-5-4-8(16)7-10(9)17/h4-5,7,16-17,19H,1-3,6H2,(H2,13,15)(H,14,18)
InChIKeyURRUHUXPNBJQRC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.74
Rot. Bonds6

About N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide

N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide (PubChem CID 107725672) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
PubChem CID107725672
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide
SMILESN/C(CCCCNC(=O)c1ccc(O)cc1O)=N/O
InChIInChI=1S/C12H17N3O4/c13-11(15-19)3-1-2-6-14-12(18)9-5-4-8(16)7-10(9)17/h4-5,7,16-17,19H,1-3,6H2,(H2,13,15)(H,14,18)
InChIKeyURRUHUXPNBJQRC-UHFFFAOYSA-N
XLogP0.74
TPSA128.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
4-[(2,4-dihydroxybenzoyl)amino]butanoic acid
CID 16796144
N-(5-amino-5-hydroxyiminopentyl)-2-bromo-4-fluorobenzamide
CID 77036778
2,4-dihydroxy-N-(3-iodopropyl)benzamide
CID 107726207
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide (CID 107725672) is N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide is N/C(CCCCNC(=O)c1ccc(O)cc1O)=N/O.
What is the InChIKey of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide?
The InChIKey is URRUHUXPNBJQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-11(15-19)3-1-2-6-14-12(18)9-5-4-8(16)7-10(9)17/h4-5,7,16-17,19H,1-3,6H2,(H2,13,15)(H,14,18).
What are the key properties of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide?
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide has a molecular weight of 267.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 107725672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).