(2E)-N-carbamoyl-2-ethylideneheptanamide

C10H18N2O2 — CID 6366651

IUPAC(2E)-N-carbamoyl-2-ethylideneheptanamide
SMILESC/C=C(\CCCCC)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)/b8-4+
InChIKeyGZXQVLMVKMXPRH-XBXARRHUSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds5

About (2E)-N-carbamoyl-2-ethylideneheptanamide

(2E)-N-carbamoyl-2-ethylideneheptanamide (PubChem CID 6366651) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2E)-N-carbamoyl-2-ethylideneheptanamide.

Molecular Properties

Compound Name(2E)-N-carbamoyl-2-ethylideneheptanamide
PubChem CID6366651
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2E)-N-carbamoyl-2-ethylideneheptanamide
SMILESC/C=C(\CCCCC)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)/b8-4+
InChIKeyGZXQVLMVKMXPRH-XBXARRHUSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-carbamoyl-2-ethylideneheptanamide?
The IUPAC name of (2E)-N-carbamoyl-2-ethylideneheptanamide (CID 6366651) is (2E)-N-carbamoyl-2-ethylideneheptanamide.
What is the SMILES notation for (2E)-N-carbamoyl-2-ethylideneheptanamide?
The canonical SMILES for (2E)-N-carbamoyl-2-ethylideneheptanamide is C/C=C(\CCCCC)C(=O)NC(N)=O.
What is the InChIKey of (2E)-N-carbamoyl-2-ethylideneheptanamide?
The InChIKey is GZXQVLMVKMXPRH-XBXARRHUSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)/b8-4+.
What are the key properties of (2E)-N-carbamoyl-2-ethylideneheptanamide?
(2E)-N-carbamoyl-2-ethylideneheptanamide has a molecular weight of 198.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-carbamoyl-2-ethylideneheptanamide is sourced from PubChem (CID 6366651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).