N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide

C17H27NO2 — CID 52941926

IUPACN-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C
InChIInChI=1S/C17H27NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-/m1/s1
InChIKeyCKYJUKSJPFBGFM-ADZRRCCVSA-N
MW277.41 g/mol
LogP3.41
Rot. Bonds1

About N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide

N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide (PubChem CID 52941926) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
PubChem CID52941926
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C
InChIInChI=1S/C17H27NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-/m1/s1
InChIKeyCKYJUKSJPFBGFM-ADZRRCCVSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide (CID 52941926) is N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide is CC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/C(=O)[C@@H]1C.
What is the InChIKey of N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide?
The InChIKey is CKYJUKSJPFBGFM-ADZRRCCVSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide?
N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4E,8E)-2,6,6,9-tetramethyl-3-oxocycloundeca-4,8-dien-1-yl]acetamide is sourced from PubChem (CID 52941926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).