N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide

C14H23NO — CID 142257384

IUPACN-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCCC
InChIInChI=1S/C14H23NO/c1-4-6-8-9-10-13(3)12-15-14(16)11-7-5-2/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,15,16)/b6-4-,9-8-,13-10+
InChIKeyMWBUKWUGEQWXOO-WXXWQZKSSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds7

About N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide

N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide (PubChem CID 142257384) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide.

Molecular Properties

Compound NameN-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide
PubChem CID142257384
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCCC
InChIInChI=1S/C14H23NO/c1-4-6-8-9-10-13(3)12-15-14(16)11-7-5-2/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,15,16)/b6-4-,9-8-,13-10+
InChIKeyMWBUKWUGEQWXOO-WXXWQZKSSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide?
The IUPAC name of N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide (CID 142257384) is N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide.
What is the SMILES notation for N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide?
The canonical SMILES for N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide is C/C=C\C=C/C=C(\C)CNC(=O)CCCC.
What is the InChIKey of N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide?
The InChIKey is MWBUKWUGEQWXOO-WXXWQZKSSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-8-9-10-13(3)12-15-14(16)11-7-5-2/h4,6,8-10H,5,7,11-12H2,1-3H3,(H,15,16)/b6-4-,9-8-,13-10+.
What are the key properties of N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide?
N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide has a molecular weight of 221.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]pentanamide is sourced from PubChem (CID 142257384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).