N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide

C17H29NO2 — CID 46934070

IUPACN-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/[C@H](O)[C@@H]1C
InChIInChI=1S/C17H29NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15-16,20H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-,16+/m1/s1
InChIKeyKHMCSZVZRFEYNK-RLHSEHTHSA-N
MW279.42 g/mol
LogP3.20
Rot. Bonds1

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

N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide (PubChem CID 46934070) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide
PubChem CID46934070
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/[C@H](O)[C@@H]1C
InChIInChI=1S/C17H29NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15-16,20H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-,16+/m1/s1
InChIKeyKHMCSZVZRFEYNK-RLHSEHTHSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide (CID 46934070) is N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide is CC(=O)N[C@@H]1CC/C(C)=C/CC(C)(C)/C=C/[C@H](O)[C@@H]1C.
What is the InChIKey of N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide?
The InChIKey is KHMCSZVZRFEYNK-RLHSEHTHSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-6-7-15(18-14(3)19)13(2)16(20)9-11-17(4,5)10-8-12/h8-9,11,13,15-16,20H,6-7,10H2,1-5H3,(H,18,19)/b11-9+,12-8+/t13-,15-,16+/m1/s1.
What are the key properties of N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide?
N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide has a molecular weight of 279.42 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S,4E,8E)-3-hydroxy-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-yl]acetamide is sourced from PubChem (CID 46934070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).