(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide

C17H34N2O — CID 126513992

IUPAC(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
SMILESCCCC(C)(CCC)CN(CC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H34N2O/c1-7-12-17(4,13-8-2)15-19(9-3)16(20)11-10-14-18(5)6/h10-11H,7-9,12-15H2,1-6H3/b11-10+
InChIKeySZPYRFOGTAUXQR-ZHACJKMWSA-N
MW282.47 g/mol
LogP3.56
Rot. Bonds10

About (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide

(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide (PubChem CID 126513992) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
PubChem CID126513992
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
SMILESCCCC(C)(CCC)CN(CC)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H34N2O/c1-7-12-17(4,13-8-2)15-19(9-3)16(20)11-10-14-18(5)6/h10-11H,7-9,12-15H2,1-6H3/b11-10+
InChIKeySZPYRFOGTAUXQR-ZHACJKMWSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
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 (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide (CID 126513992) is (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide is CCCC(C)(CCC)CN(CC)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide?
The InChIKey is SZPYRFOGTAUXQR-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-12-17(4,13-8-2)15-19(9-3)16(20)11-10-14-18(5)6/h10-11H,7-9,12-15H2,1-6H3/b11-10+.
What are the key properties of (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide?
(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide has a molecular weight of 282.47 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide is sourced from PubChem (CID 126513992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).