N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide

C17H29NO — CID 58616183

IUPACN-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(C/C=C\C1CC=C(C)CC1C)CC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)12-18(16(5)19)10-6-7-17-9-8-14(3)11-15(17)4/h6-8,13,15,17H,9-12H2,1-5H3/b7-6-
InChIKeyGJHLONILDZSSBT-SREVYHEPSA-N
MW263.43 g/mol
LogP4.04
Rot. Bonds5

About N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide

N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide (PubChem CID 58616183) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide
PubChem CID58616183
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(C/C=C\C1CC=C(C)CC1C)CC(C)C
InChIInChI=1S/C17H29NO/c1-13(2)12-18(16(5)19)10-6-7-17-9-8-14(3)11-15(17)4/h6-8,13,15,17H,9-12H2,1-5H3/b7-6-
InChIKeyGJHLONILDZSSBT-SREVYHEPSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.04
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-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide (CID 58616183) is N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide is CC(=O)N(C/C=C\C1CC=C(C)CC1C)CC(C)C.
What is the InChIKey of N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide?
The InChIKey is GJHLONILDZSSBT-SREVYHEPSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)12-18(16(5)19)10-6-7-17-9-8-14(3)11-15(17)4/h6-8,13,15,17H,9-12H2,1-5H3/b7-6-.
What are the key properties of N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide?
N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide has a molecular weight of 263.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4,6-dimethylcyclohex-3-en-1-yl)prop-2-enyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 58616183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).