(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide

C15H29NO — CID 101466460

IUPAC(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H29NO/c1-7-9-11-14(10-8-2)15(17)16(12(3)4)13(5)6/h11-13H,7-10H2,1-6H3/b14-11+
InChIKeyBQAMKIYGPYAPOT-SDNWHVSQSA-N
MW239.40 g/mol
LogP4.16
Rot. Bonds7

About (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide

(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide (PubChem CID 101466460) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide.

Molecular Properties

Compound Name(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide
PubChem CID101466460
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H29NO/c1-7-9-11-14(10-8-2)15(17)16(12(3)4)13(5)6/h11-13H,7-10H2,1-6H3/b14-11+
InChIKeyBQAMKIYGPYAPOT-SDNWHVSQSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N,N-di(propan-2-yl)-2-propylhex-2-enamide?
The IUPAC name of (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide (CID 101466460) is (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide.
What is the SMILES notation for (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide?
The canonical SMILES for (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide is CCC/C=C(\CCC)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide?
The InChIKey is BQAMKIYGPYAPOT-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-9-11-14(10-8-2)15(17)16(12(3)4)13(5)6/h11-13H,7-10H2,1-6H3/b14-11+.
What are the key properties of (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide?
(E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide has a molecular weight of 239.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-di(propan-2-yl)-2-propylhex-2-enamide is sourced from PubChem (CID 101466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).