2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide

C15H29NO2 — CID 153306750

IUPAC2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide
SMILESCC(C)COC/C=C/CCCCNC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)12-18-11-9-7-5-6-8-10-16-15(17)14(3)4/h7,9,13-14H,5-6,8,10-12H2,1-4H3,(H,16,17)/b9-7+
InChIKeyWQZQLPFWBHQXRQ-VQHVLOKHSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds10

About 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide

2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide (PubChem CID 153306750) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide
PubChem CID153306750
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide
SMILESCC(C)COC/C=C/CCCCNC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-13(2)12-18-11-9-7-5-6-8-10-16-15(17)14(3)4/h7,9,13-14H,5-6,8,10-12H2,1-4H3,(H,16,17)/b9-7+
InChIKeyWQZQLPFWBHQXRQ-VQHVLOKHSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide?
The IUPAC name of 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide (CID 153306750) is 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide is CC(C)COC/C=C/CCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide?
The InChIKey is WQZQLPFWBHQXRQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(2)12-18-11-9-7-5-6-8-10-16-15(17)14(3)4/h7,9,13-14H,5-6,8,10-12H2,1-4H3,(H,16,17)/b9-7+.
What are the key properties of 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide?
2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-7-(2-methylpropoxy)hept-5-enyl]propanamide is sourced from PubChem (CID 153306750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).