N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide

C15H23NO — CID 89150927

IUPACN-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide
SMILESC=C(C)/C=C/C=C(\C=C/C)C(C)(C)NC(C)=O
InChIInChI=1S/C15H23NO/c1-7-9-14(11-8-10-12(2)3)15(5,6)16-13(4)17/h7-11H,2H2,1,3-6H3,(H,16,17)/b9-7-,10-8+,14-11+
InChIKeyBMUPQZSGXRPHBP-FAKQZIAASA-N
MW233.35 g/mol
LogP3.54
Rot. Bonds5

About N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide

N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide (PubChem CID 89150927) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide
PubChem CID89150927
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide
SMILESC=C(C)/C=C/C=C(\C=C/C)C(C)(C)NC(C)=O
InChIInChI=1S/C15H23NO/c1-7-9-14(11-8-10-12(2)3)15(5,6)16-13(4)17/h7-11H,2H2,1,3-6H3,(H,16,17)/b9-7-,10-8+,14-11+
InChIKeyBMUPQZSGXRPHBP-FAKQZIAASA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.54
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-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide?
The IUPAC name of N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide (CID 89150927) is N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide?
The canonical SMILES for N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide is C=C(C)/C=C/C=C(\C=C/C)C(C)(C)NC(C)=O.
What is the InChIKey of N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide?
The InChIKey is BMUPQZSGXRPHBP-FAKQZIAASA-N. The full InChI is InChI=1S/C15H23NO/c1-7-9-14(11-8-10-12(2)3)15(5,6)16-13(4)17/h7-11H,2H2,1,3-6H3,(H,16,17)/b9-7-,10-8+,14-11+.
What are the key properties of N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide?
N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide has a molecular weight of 233.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-2,7-dimethyl-3-[(Z)-prop-1-enyl]octa-3,5,7-trien-2-yl]acetamide is sourced from PubChem (CID 89150927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).