N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide

C14H23NO — CID 91139455

IUPACN-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide
SMILESCC=CC(=CC=C(C)C)CCN(C)C(C)=O
InChIInChI=1S/C14H23NO/c1-6-7-14(9-8-12(2)3)10-11-15(5)13(4)16/h6-9H,10-11H2,1-5H3
InChIKeyLASQZSYJWQTELO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide

N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide (PubChem CID 91139455) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide
PubChem CID91139455
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide
SMILESCC=CC(=CC=C(C)C)CCN(C)C(C)=O
InChIInChI=1S/C14H23NO/c1-6-7-14(9-8-12(2)3)10-11-15(5)13(4)16/h6-9H,10-11H2,1-5H3
InChIKeyLASQZSYJWQTELO-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
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-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide?
The IUPAC name of N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide (CID 91139455) is N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide.
What is the SMILES notation for N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide?
The canonical SMILES for N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide is CC=CC(=CC=C(C)C)CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide?
The InChIKey is LASQZSYJWQTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-7-14(9-8-12(2)3)10-11-15(5)13(4)16/h6-9H,10-11H2,1-5H3.
What are the key properties of N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide?
N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide has a molecular weight of 221.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-3-prop-1-enylhepta-3,5-dienyl)acetamide is sourced from PubChem (CID 91139455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).