N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

C16H29NO2 — CID 59076560

IUPACN-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CC(C)C)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)7-14-8-12(5)9-15(19-11(3)4)16(14)17-13(6)18/h9-11,14-16H,7-8H2,1-6H3,(H,17,18)/t14-,15+,16+/m0/s1
InChIKeyWLZNADHETPPPKQ-ARFHVFGLSA-N
MW267.41 g/mol
LogP3.30
Rot. Bonds5

About N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076560) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076560
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CC(C)C)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)7-14-8-12(5)9-15(19-11(3)4)16(14)17-13(6)18/h9-11,14-16H,7-8H2,1-6H3,(H,17,18)/t14-,15+,16+/m0/s1
InChIKeyWLZNADHETPPPKQ-ARFHVFGLSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
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,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076560) is N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1[C@@H](CC(C)C)CC(C)=C[C@H]1OC(C)C.
What is the InChIKey of N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is WLZNADHETPPPKQ-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H29NO2/c1-10(2)7-14-8-12(5)9-15(19-11(3)4)16(14)17-13(6)18/h9-11,14-16H,7-8H2,1-6H3,(H,17,18)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 267.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).