N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide

C14H24N2O2 — CID 1402266

IUPACN-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](C(C)(C)NC(C)=O)CC=C1C
InChIInChI=1S/C14H24N2O2/c1-9-6-7-12(8-13(9)15-10(2)17)14(4,5)16-11(3)18/h6,12-13H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t12-,13+/m0/s1
InChIKeySQPJPALCIMBDGG-QWHCGFSZSA-N
MW252.36 g/mol
LogP1.76
Rot. Bonds3

About N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide

N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide (PubChem CID 1402266) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide
PubChem CID1402266
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@@H](C(C)(C)NC(C)=O)CC=C1C
InChIInChI=1S/C14H24N2O2/c1-9-6-7-12(8-13(9)15-10(2)17)14(4,5)16-11(3)18/h6,12-13H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t12-,13+/m0/s1
InChIKeySQPJPALCIMBDGG-QWHCGFSZSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.76
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,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide (CID 1402266) is N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide is CC(=O)N[C@@H]1C[C@@H](C(C)(C)NC(C)=O)CC=C1C.
What is the InChIKey of N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide?
The InChIKey is SQPJPALCIMBDGG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-7-12(8-13(9)15-10(2)17)14(4,5)16-11(3)18/h6,12-13H,7-8H2,1-5H3,(H,15,17)(H,16,18)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide?
N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 1402266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).