N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide

C17H29NO — CID 14658569

IUPACN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C17H29NO/c1-13(2)7-6-12-17(5,18-15(4)19)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3,(H,18,19)/t16-,17-/m0/s1
InChIKeyFRGABPUEHYONGO-IRXDYDNUSA-N
MW263.43 g/mol
LogP4.37
Rot. Bonds5

About N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide

N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide (PubChem CID 14658569) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
PubChem CID14658569
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
SMILESCC(=O)N[C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C17H29NO/c1-13(2)7-6-12-17(5,18-15(4)19)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3,(H,18,19)/t16-,17-/m0/s1
InChIKeyFRGABPUEHYONGO-IRXDYDNUSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
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-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide (CID 14658569) is N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide is CC(=O)N[C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1.
What is the InChIKey of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide?
The InChIKey is FRGABPUEHYONGO-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)7-6-12-17(5,18-15(4)19)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3,(H,18,19)/t16-,17-/m0/s1.
What are the key properties of N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide?
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide has a molecular weight of 263.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide is sourced from PubChem (CID 14658569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).