N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide

C27H34N2O4 — CID 91123826

IUPACN-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
SMILESO=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NCCC1C=CCCC1)NO
InChIInChI=1S/C27H34N2O4/c30-26(29-32)17-6-2-5-13-23(27(31)28-19-18-21-10-3-1-4-11-21)20-33-25-16-9-14-22-12-7-8-15-24(22)25/h3,7-10,12-16,21,32H,1-2,4-6,11,17-20H2,(H,28,31)(H,29,30)
InChIKeyDXJYXLFUVOSRIU-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.07
Rot. Bonds12

About N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide

N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide (PubChem CID 91123826) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide.

Molecular Properties

Compound NameN-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
PubChem CID91123826
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC NameN-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
SMILESO=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NCCC1C=CCCC1)NO
InChIInChI=1S/C27H34N2O4/c30-26(29-32)17-6-2-5-13-23(27(31)28-19-18-21-10-3-1-4-11-21)20-33-25-16-9-14-22-12-7-8-15-24(22)25/h3,7-10,12-16,21,32H,1-2,4-6,11,17-20H2,(H,28,31)(H,29,30)
InChIKeyDXJYXLFUVOSRIU-UHFFFAOYSA-N
XLogP5.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.07
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-cyclohex-2-en-1-ylethyl)-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 87225864
(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide;phosphane
CID 175759899
N'-hydroxy-2-(naphthalen-1-yloxymethyl)-N-(1-propan-2-ylpiperidin-4-yl)oct-2-enediamide
CID 74348945
(E)-7-(naphthalen-1-yloxymethyl)-8-oxo-8-(2-pyrrolidin-1-ylethylamino)oct-6-enoic acid
CID 141170930
N'-hydroxy-2-(naphthalen-1-yloxymethyl)-N-(1-propan-2-ylpyrrolidin-3-yl)oct-2-enediamide
CID 90937867
methyl 8-(cyclohexylamino)-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 66987722
2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)-N-(oxolan-2-ylmethyl)oct-2-enediamide
CID 154240351
N-[2-[di(propan-2-yl)amino]ethyl]-2-(naphthalen-1-yloxymethyl)-N'-(oxan-2-yloxy)oct-2-enediamide
CID 90699569
methyl (E)-8-[2-[di(propan-2-yl)amino]ethylamino]-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoate
CID 66987892
N-hydroxy-7-(naphthalen-1-yloxymethyl)-8-[(1-propan-2-ylpiperidin-4-yl)amino]oct-6-enamide
CID 74349091
N-(4-ethoxy-4-hydroxycyclohexa-1,5-dien-1-yl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
CID 173154785
(Z)-N-[4-(dimethylamino)butyl]-N'-hydroxy-3-(naphthalen-1-yloxymethyl)non-3-enediamide
CID 167158499

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide?
The IUPAC name of N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide (CID 91123826) is N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide.
What is the SMILES notation for N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide?
The canonical SMILES for N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide is O=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NCCC1C=CCCC1)NO.
What is the InChIKey of N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide?
The InChIKey is DXJYXLFUVOSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c30-26(29-32)17-6-2-5-13-23(27(31)28-19-18-21-10-3-1-4-11-21)20-33-25-16-9-14-22-12-7-8-15-24(22)25/h3,7-10,12-16,21,32H,1-2,4-6,11,17-20H2,(H,28,31)(H,29,30).
What are the key properties of N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide?
N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide has a molecular weight of 450.58 g/mol, XLogP of 5.07, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohex-2-en-1-ylethyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide is sourced from PubChem (CID 91123826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).