N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide

C14H23NO — CID 76600076

IUPACN-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide
SMILESCC(=O)N(C)CC=C(C)C1CC=C(C)CC1
InChIInChI=1S/C14H23NO/c1-11-5-7-14(8-6-11)12(2)9-10-15(4)13(3)16/h5,9,14H,6-8,10H2,1-4H3
InChIKeyCHIKZRNWCKKMON-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds3

About N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide

N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide (PubChem CID 76600076) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide
PubChem CID76600076
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide
SMILESCC(=O)N(C)CC=C(C)C1CC=C(C)CC1
InChIInChI=1S/C14H23NO/c1-11-5-7-14(8-6-11)12(2)9-10-15(4)13(3)16/h5,9,14H,6-8,10H2,1-4H3
InChIKeyCHIKZRNWCKKMON-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide?
The IUPAC name of N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide (CID 76600076) is N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide is CC(=O)N(C)CC=C(C)C1CC=C(C)CC1.
What is the InChIKey of N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide?
The InChIKey is CHIKZRNWCKKMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-5-7-14(8-6-11)12(2)9-10-15(4)13(3)16/h5,9,14H,6-8,10H2,1-4H3.
What are the key properties of N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide?
N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide has a molecular weight of 221.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylcyclohex-3-en-1-yl)but-2-enyl]acetamide is sourced from PubChem (CID 76600076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).