N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

C16H29NO — CID 5009124

IUPACN-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N(CC(C)C)CC1C(C)C=C(C)CC1C
InChIInChI=1S/C16H29NO/c1-11(2)9-17(15(6)18)10-16-13(4)7-12(3)8-14(16)5/h7,11,13-14,16H,8-10H2,1-6H3
InChIKeyJQMXYTDOZOGQRF-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.73
Rot. Bonds4

About N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (PubChem CID 5009124) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
PubChem CID5009124
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N(CC(C)C)CC1C(C)C=C(C)CC1C
InChIInChI=1S/C16H29NO/c1-11(2)9-17(15(6)18)10-16-13(4)7-12(3)8-14(16)5/h7,11,13-14,16H,8-10H2,1-6H3
InChIKeyJQMXYTDOZOGQRF-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.73
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-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The IUPAC name of N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (CID 5009124) is N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is CC(=O)N(CC(C)C)CC1C(C)C=C(C)CC1C.
What is the InChIKey of N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The InChIKey is JQMXYTDOZOGQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(2)9-17(15(6)18)10-16-13(4)7-12(3)8-14(16)5/h7,11,13-14,16H,8-10H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide has a molecular weight of 251.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is sourced from PubChem (CID 5009124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).