(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide

C14H27NO2 — CID 159542505

IUPAC(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
SMILESCCCN(C)C(=O)/C=C/CCCCOC(C)C
InChIInChI=1S/C14H27NO2/c1-5-11-15(4)14(16)10-8-6-7-9-12-17-13(2)3/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8+
InChIKeyAEMUCTUCXHBLDJ-CSKARUKUSA-N
MW241.37 g/mol
LogP3.01
Rot. Bonds9

About (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide

(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide (PubChem CID 159542505) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
PubChem CID159542505
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide
SMILESCCCN(C)C(=O)/C=C/CCCCOC(C)C
InChIInChI=1S/C14H27NO2/c1-5-11-15(4)14(16)10-8-6-7-9-12-17-13(2)3/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8+
InChIKeyAEMUCTUCXHBLDJ-CSKARUKUSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
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 (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?
The IUPAC name of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide (CID 159542505) is (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide.
What is the SMILES notation for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?
The canonical SMILES for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide is CCCN(C)C(=O)/C=C/CCCCOC(C)C.
What is the InChIKey of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?
The InChIKey is AEMUCTUCXHBLDJ-CSKARUKUSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-11-15(4)14(16)10-8-6-7-9-12-17-13(2)3/h8,10,13H,5-7,9,11-12H2,1-4H3/b10-8+.
What are the key properties of (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide?
(E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-7-propan-2-yloxy-N-propylhept-2-enamide is sourced from PubChem (CID 159542505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).