(2Z)-N-carbamoyl-2-ethylidenehexanamide

C9H16N2O2 — CID 6437787

IUPAC(2Z)-N-carbamoyl-2-ethylidenehexanamide
SMILESC/C=C(/CCCC)C(=O)NC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)/b7-4-
InChIKeyAUJBYHKZNPPODV-DAXSKMNVSA-N
MW184.24 g/mol
LogP1.32
Rot. Bonds4

About (2Z)-N-carbamoyl-2-ethylidenehexanamide

(2Z)-N-carbamoyl-2-ethylidenehexanamide (PubChem CID 6437787) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2Z)-N-carbamoyl-2-ethylidenehexanamide.

Molecular Properties

Compound Name(2Z)-N-carbamoyl-2-ethylidenehexanamide
PubChem CID6437787
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2Z)-N-carbamoyl-2-ethylidenehexanamide
SMILESC/C=C(/CCCC)C(=O)NC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)/b7-4-
InChIKeyAUJBYHKZNPPODV-DAXSKMNVSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-carbamoyl-2-ethylidenehexanamide?
The IUPAC name of (2Z)-N-carbamoyl-2-ethylidenehexanamide (CID 6437787) is (2Z)-N-carbamoyl-2-ethylidenehexanamide.
What is the SMILES notation for (2Z)-N-carbamoyl-2-ethylidenehexanamide?
The canonical SMILES for (2Z)-N-carbamoyl-2-ethylidenehexanamide is C/C=C(/CCCC)C(=O)NC(N)=O.
What is the InChIKey of (2Z)-N-carbamoyl-2-ethylidenehexanamide?
The InChIKey is AUJBYHKZNPPODV-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-6-7(4-2)8(12)11-9(10)13/h4H,3,5-6H2,1-2H3,(H3,10,11,12,13)/b7-4-.
What are the key properties of (2Z)-N-carbamoyl-2-ethylidenehexanamide?
(2Z)-N-carbamoyl-2-ethylidenehexanamide has a molecular weight of 184.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-carbamoyl-2-ethylidenehexanamide is sourced from PubChem (CID 6437787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).