N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide

C12H20N2O2 — CID 42920555

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRISXKWSMQWBHGV-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.98
Rot. Bonds4

About N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42920555) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID42920555
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CC=CCC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRISXKWSMQWBHGV-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 5283418
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CID 44254610
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CID 73347185
CID 73347185
CID 73353257
CID 73353257
CID 13192759
CID 13192759
CID 10774283
CID 10774283
CID 44364213
CID 44364213
CID 44386090
CID 44386090
CID 73352938
CID 73352938
CID 73356020
CID 73356020

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide (CID 42920555) is N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide is CC(C)NC(=O)CNC(=O)C1CC=CCC1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RISXKWSMQWBHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-11(15)8-13-12(16)10-6-4-3-5-7-10/h3-4,9-10H,5-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42920555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).