N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide

C16H25N3O3 — CID 44507345

IUPACN'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCC(=O)NO)CC1
InChIInChI=1S/C16H25N3O3/c1-12(2)14-9-7-13(8-10-14)11-17-18-15(20)5-3-4-6-16(21)19-22/h7,11,14,22H,1,3-6,8-10H2,2H3,(H,18,20)(H,19,21)/b17-11+/t14-/m1/s1
InChIKeyXVEIRGIHDYGGPW-SWEABUAFSA-N
MW307.39 g/mol
LogP2.46
Rot. Bonds8

About N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide

N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide (PubChem CID 44507345) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
PubChem CID44507345
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
SMILESC=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCC(=O)NO)CC1
InChIInChI=1S/C16H25N3O3/c1-12(2)14-9-7-13(8-10-14)11-17-18-15(20)5-3-4-6-16(21)19-22/h7,11,14,22H,1,3-6,8-10H2,2H3,(H,18,20)(H,19,21)/b17-11+/t14-/m1/s1
InChIKeyXVEIRGIHDYGGPW-SWEABUAFSA-N
XLogP2.46
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.46
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide (CID 44507345) is N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide is C=C(C)[C@@H]1CC=C(/C=N/NC(=O)CCCCC(=O)NO)CC1.
What is the InChIKey of N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide?
The InChIKey is XVEIRGIHDYGGPW-SWEABUAFSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)14-9-7-13(8-10-14)11-17-18-15(20)5-3-4-6-16(21)19-22/h7,11,14,22H,1,3-6,8-10H2,2H3,(H,18,20)(H,19,21)/b17-11+/t14-/m1/s1.
What are the key properties of N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide?
N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide has a molecular weight of 307.39 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide is sourced from PubChem (CID 44507345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).