N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide

C14H25NO2 — CID 142275229

IUPACN-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide
SMILESCC/C=C(\C=C/C(C)CNC(=O)CCC)OC
InChIInChI=1S/C14H25NO2/c1-5-7-13(17-4)10-9-12(3)11-15-14(16)8-6-2/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16)/b10-9-,13-7+
InChIKeyKFPCJMGXVZIYMA-QLNUPNCESA-N
MW239.36 g/mol
LogP3.04
Rot. Bonds8

About N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide

N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide (PubChem CID 142275229) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide
PubChem CID142275229
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide
SMILESCC/C=C(\C=C/C(C)CNC(=O)CCC)OC
InChIInChI=1S/C14H25NO2/c1-5-7-13(17-4)10-9-12(3)11-15-14(16)8-6-2/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16)/b10-9-,13-7+
InChIKeyKFPCJMGXVZIYMA-QLNUPNCESA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxycyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 14811298
N-[2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl]acetamide
CID 68027848
N-(cyclopropylmethyl)-4-methoxycyclohexa-2,4-diene-1-carboxamide
CID 70904221
N-[(7-methoxy-3H-isochromen-4-yl)methyl]butanamide
CID 87797894
N-[(2E,4Z)-3-methoxy-4-methylhepta-2,4-dienyl]acetamide
CID 88971136
N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
CID 89313756
(3Z,5E)-5-ethoxy-7-methylidene-1,2,8,9-tetrahydroazecin-10-one
CID 89591584
6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
CID 91512361
N-(3-ethylidene-6-methoxy-4-methylhepta-4,6-dienyl)acetamide
CID 123670587
N-(6,7-dimethoxynona-4,6,8-trienyl)formamide
CID 123880567
(3E,5E)-2-ethyl-4,5-dimethoxy-N-methylhepta-3,5-dienamide
CID 126695521
N-(3-methoxy-6-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 130184339

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide?
The IUPAC name of N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide (CID 142275229) is N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide.
What is the SMILES notation for N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide?
The canonical SMILES for N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide is CC/C=C(\C=C/C(C)CNC(=O)CCC)OC.
What is the InChIKey of N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide?
The InChIKey is KFPCJMGXVZIYMA-QLNUPNCESA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-7-13(17-4)10-9-12(3)11-15-14(16)8-6-2/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,15,16)/b10-9-,13-7+.
What are the key properties of N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide?
N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide has a molecular weight of 239.36 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-methoxy-2-methylocta-3,5-dienyl]butanamide is sourced from PubChem (CID 142275229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).