(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide

C10H18N2O2 — CID 6366652

IUPAC(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide
SMILESC/C=C(/C(=O)NC(N)=O)C(C)CCC
InChIInChI=1S/C10H18N2O2/c1-4-6-7(3)8(5-2)9(13)12-10(11)14/h5,7H,4,6H2,1-3H3,(H3,11,12,13,14)/b8-5+
InChIKeyKSXJYGKGCRJJKP-VMPITWQZSA-N
MW198.27 g/mol
LogP1.56
Rot. Bonds4

About (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide

(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide (PubChem CID 6366652) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide.

Molecular Properties

Compound Name(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide
PubChem CID6366652
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide
SMILESC/C=C(/C(=O)NC(N)=O)C(C)CCC
InChIInChI=1S/C10H18N2O2/c1-4-6-7(3)8(5-2)9(13)12-10(11)14/h5,7H,4,6H2,1-3H3,(H3,11,12,13,14)/b8-5+
InChIKeyKSXJYGKGCRJJKP-VMPITWQZSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.56
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 (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide?
The IUPAC name of (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide (CID 6366652) is (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide.
What is the SMILES notation for (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide?
The canonical SMILES for (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide is C/C=C(/C(=O)NC(N)=O)C(C)CCC.
What is the InChIKey of (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide?
The InChIKey is KSXJYGKGCRJJKP-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-7(3)8(5-2)9(13)12-10(11)14/h5,7H,4,6H2,1-3H3,(H3,11,12,13,14)/b8-5+.
What are the key properties of (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide?
(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide has a molecular weight of 198.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide is sourced from PubChem (CID 6366652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).