N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide

C12H20N2O2 — CID 88941229

IUPACN-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide
SMILESC/C=C(\C=C/CCNC(C)=O)CNC(C)=O
InChIInChI=1S/C12H20N2O2/c1-4-12(9-14-11(3)16)7-5-6-8-13-10(2)15/h4-5,7H,6,8-9H2,1-3H3,(H,13,15)(H,14,16)/b7-5-,12-4+
InChIKeyKYUBVVDNLPKTMM-NIZDWENVSA-N
MW224.30 g/mol
LogP1.15
Rot. Bonds6

About N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide

N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide (PubChem CID 88941229) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide
PubChem CID88941229
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide
SMILESC/C=C(\C=C/CCNC(C)=O)CNC(C)=O
InChIInChI=1S/C12H20N2O2/c1-4-12(9-14-11(3)16)7-5-6-8-13-10(2)15/h4-5,7H,6,8-9H2,1-3H3,(H,13,15)(H,14,16)/b7-5-,12-4+
InChIKeyKYUBVVDNLPKTMM-NIZDWENVSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide?
The IUPAC name of N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide (CID 88941229) is N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide.
What is the SMILES notation for N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide?
The canonical SMILES for N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide is C/C=C(\C=C/CCNC(C)=O)CNC(C)=O.
What is the InChIKey of N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide?
The InChIKey is KYUBVVDNLPKTMM-NIZDWENVSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(9-14-11(3)16)7-5-6-8-13-10(2)15/h4-5,7H,6,8-9H2,1-3H3,(H,13,15)(H,14,16)/b7-5-,12-4+.
What are the key properties of N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide?
N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-(acetamidomethyl)hepta-3,5-dienyl]acetamide is sourced from PubChem (CID 88941229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).