2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide

C22H37N3O4 — CID 142235737

IUPAC2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide
SMILESC/C=C\C(=C/CC)NC(=O)C(CCCCCC(=O)NO)NC(=O)C1CCCCC1
InChIInChI=1S/C22H37N3O4/c1-3-11-18(12-4-2)23-22(28)19(15-9-6-10-16-20(26)25-29)24-21(27)17-13-7-5-8-14-17/h3,11-12,17,19,29H,4-10,13-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b11-3-,18-12+
InChIKeyNMAYSVYAENARMD-QUVBWHDYSA-N
MW407.56 g/mol
LogP3.49
Rot. Bonds12

About 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide

2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide (PubChem CID 142235737) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide
PubChem CID142235737
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Name2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide
SMILESC/C=C\C(=C/CC)NC(=O)C(CCCCCC(=O)NO)NC(=O)C1CCCCC1
InChIInChI=1S/C22H37N3O4/c1-3-11-18(12-4-2)23-22(28)19(15-9-6-10-16-20(26)25-29)24-21(27)17-13-7-5-8-14-17/h3,11-12,17,19,29H,4-10,13-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b11-3-,18-12+
InChIKeyNMAYSVYAENARMD-QUVBWHDYSA-N
XLogP3.49
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.49
H-Bond Donors ≤ 54
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide (CID 142235737) is 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide is C/C=C\C(=C/CC)NC(=O)C(CCCCCC(=O)NO)NC(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide?
The InChIKey is NMAYSVYAENARMD-QUVBWHDYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-3-11-18(12-4-2)23-22(28)19(15-9-6-10-16-20(26)25-29)24-21(27)17-13-7-5-8-14-17/h3,11-12,17,19,29H,4-10,13-16H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b11-3-,18-12+.
What are the key properties of 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide?
2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide has a molecular weight of 407.56 g/mol, XLogP of 3.49, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 142235737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).