(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide

C16H28N4O3 — CID 2302900

IUPAC(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide
SMILESC/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-11(10-13(21)17-12-8-6-5-7-9-12)19-20-15(23)14(22)18-16(2,3)4/h10,12,19H,5-9H2,1-4H3,(H,17,21)(H,18,22)(H,20,23)/b11-10+
InChIKeyFHSYUKVDPXFWPT-ZHACJKMWSA-N
MW324.43 g/mol
LogP0.87
Rot. Bonds4

About (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide

(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide (PubChem CID 2302900) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide
PubChem CID2302900
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide
SMILESC/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O3/c1-11(10-13(21)17-12-8-6-5-7-9-12)19-20-15(23)14(22)18-16(2,3)4/h10,12,19H,5-9H2,1-4H3,(H,17,21)(H,18,22)(H,20,23)/b11-10+
InChIKeyFHSYUKVDPXFWPT-ZHACJKMWSA-N
XLogP0.87
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide?
The IUPAC name of (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide (CID 2302900) is (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide.
What is the SMILES notation for (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide?
The canonical SMILES for (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide is C/C(=C\C(=O)NC1CCCCC1)NNC(=O)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide?
The InChIKey is FHSYUKVDPXFWPT-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(10-13(21)17-12-8-6-5-7-9-12)19-20-15(23)14(22)18-16(2,3)4/h10,12,19H,5-9H2,1-4H3,(H,17,21)(H,18,22)(H,20,23)/b11-10+.
What are the key properties of (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide?
(E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide has a molecular weight of 324.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(tert-butylamino)-2-oxoacetyl]hydrazinyl]-N-cyclohexylbut-2-enamide is sourced from PubChem (CID 2302900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).