N'-hydroxy-N-phenyl-2-propoxyheptanediamide

C16H24N2O4 — CID 25065713

IUPACN'-hydroxy-N-phenyl-2-propoxyheptanediamide
SMILESCCCOC(CCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-2-12-22-14(10-6-7-11-15(19)18-21)16(20)17-13-8-4-3-5-9-13/h3-5,8-9,14,21H,2,6-7,10-12H2,1H3,(H,17,20)(H,18,19)
InChIKeyHYIYBZGKHUILKH-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.49
Rot. Bonds10

About N'-hydroxy-N-phenyl-2-propoxyheptanediamide

N'-hydroxy-N-phenyl-2-propoxyheptanediamide (PubChem CID 25065713) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-hydroxy-N-phenyl-2-propoxyheptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenyl-2-propoxyheptanediamide
PubChem CID25065713
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN'-hydroxy-N-phenyl-2-propoxyheptanediamide
SMILESCCCOC(CCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-2-12-22-14(10-6-7-11-15(19)18-21)16(20)17-13-8-4-3-5-9-13/h3-5,8-9,14,21H,2,6-7,10-12H2,1H3,(H,17,20)(H,18,19)
InChIKeyHYIYBZGKHUILKH-UHFFFAOYSA-N
XLogP2.49
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N7-hydroxy-2-methoxy-N1-phenylheptanediamide
CID 25065710
N8,2-dihydroxy-N1-phenyloctanediamide
CID 25065929
N8-hydroxy-2-methoxy-N1-phenyloctanediamide
CID 25065930
2-(allyloxy)-N8-hydroxy-N1-phenyloctanediamide
CID 25065931
N'-hydroxy-N-phenyl-2-prop-2-enoxynonanediamide
CID 25066353
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 16340003
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 24686146
[2-(4-Acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2365224
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 24653655
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24686237
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 16523079
N',2-dihydroxy-N-phenylheptanediamide
CID 25065709

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-phenyl-2-propoxyheptanediamide?
The IUPAC name of N'-hydroxy-N-phenyl-2-propoxyheptanediamide (CID 25065713) is N'-hydroxy-N-phenyl-2-propoxyheptanediamide.
What is the SMILES notation for N'-hydroxy-N-phenyl-2-propoxyheptanediamide?
The canonical SMILES for N'-hydroxy-N-phenyl-2-propoxyheptanediamide is CCCOC(CCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of N'-hydroxy-N-phenyl-2-propoxyheptanediamide?
The InChIKey is HYIYBZGKHUILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-12-22-14(10-6-7-11-15(19)18-21)16(20)17-13-8-4-3-5-9-13/h3-5,8-9,14,21H,2,6-7,10-12H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N'-hydroxy-N-phenyl-2-propoxyheptanediamide?
N'-hydroxy-N-phenyl-2-propoxyheptanediamide has a molecular weight of 308.38 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenyl-2-propoxyheptanediamide is sourced from PubChem (CID 25065713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).