N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide

C17H24N2O4 — CID 174602137

IUPACN-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide
SMILESC=C(C)COC(CCCCC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C17H24N2O4/c1-13(2)12-23-15(17(21)19-22)10-6-7-11-16(20)18-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1,6-7,10-12H2,2H3,(H,18,20)(H,19,21)
InChIKeyHTSPUGJVYSVHLI-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds10

About N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide

N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide (PubChem CID 174602137) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide
PubChem CID174602137
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide
SMILESC=C(C)COC(CCCCC(=O)Nc1ccccc1)C(=O)NO
InChIInChI=1S/C17H24N2O4/c1-13(2)12-23-15(17(21)19-22)10-6-7-11-16(20)18-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1,6-7,10-12H2,2H3,(H,18,20)(H,19,21)
InChIKeyHTSPUGJVYSVHLI-UHFFFAOYSA-N
XLogP2.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
N-hydroxy-2-pentyl-N'-phenyloctanediamide
CID 134143927
N'-hydroxy-N-phenyl-2-prop-2-enoxyoctanediamide;methyl 8-anilino-8-oxo-7-prop-2-enoxyoctanoate
CID 159093312
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
CID 25065926
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
(6-anilino-6-oxohexyl) acetate
CID 154158064
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
5,5-dibromo-N-phenylpentanamide
CID 174352057
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
11-anilino-11-oxoundecanoic acid
CID 150341840

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide?
The IUPAC name of N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide (CID 174602137) is N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide.
What is the SMILES notation for N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide?
The canonical SMILES for N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide is C=C(C)COC(CCCCC(=O)Nc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide?
The InChIKey is HTSPUGJVYSVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(2)12-23-15(17(21)19-22)10-6-7-11-16(20)18-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1,6-7,10-12H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide?
N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide has a molecular weight of 320.39 g/mol, XLogP of 2.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methylprop-2-enoxy)-N'-phenylheptanediamide is sourced from PubChem (CID 174602137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).