N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide

C13H24N2O — CID 90976143

IUPACN-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide
SMILESC/C=N/C(C)=C(CC)C(=O)N(C)C(C)CC
InChIInChI=1S/C13H24N2O/c1-7-10(4)15(6)13(16)12(8-2)11(5)14-9-3/h9-10H,7-8H2,1-6H3/b12-11?,14-9+
InChIKeyMZJBGGDQMDAVFF-QJGCQCTOSA-N
MW224.35 g/mol
LogP3.02
Rot. Bonds5

About N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide

N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide (PubChem CID 90976143) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide
PubChem CID90976143
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide
SMILESC/C=N/C(C)=C(CC)C(=O)N(C)C(C)CC
InChIInChI=1S/C13H24N2O/c1-7-10(4)15(6)13(16)12(8-2)11(5)14-9-3/h9-10H,7-8H2,1-6H3/b12-11?,14-9+
InChIKeyMZJBGGDQMDAVFF-QJGCQCTOSA-N
XLogP3.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide?
The IUPAC name of N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide (CID 90976143) is N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide.
What is the SMILES notation for N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide?
The canonical SMILES for N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide is C/C=N/C(C)=C(CC)C(=O)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide?
The InChIKey is MZJBGGDQMDAVFF-QJGCQCTOSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-10(4)15(6)13(16)12(8-2)11(5)14-9-3/h9-10H,7-8H2,1-6H3/b12-11?,14-9+.
What are the key properties of N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide?
N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-3-(ethylideneamino)-N-methylbut-2-enamide is sourced from PubChem (CID 90976143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).