(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide

C17H31NO2 — CID 99808546

IUPAC(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-13-8-7-11-16(12-13)20-14(2)17(19)18-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14+,16-/m1/s1
InChIKeyGIQUYTLZSGUQLU-IJEWVQPXSA-N
MW281.44 g/mol
LogP3.81
Rot. Bonds4

About (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide

(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide (PubChem CID 99808546) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
PubChem CID99808546
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-13-8-7-11-16(12-13)20-14(2)17(19)18-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14+,16-/m1/s1
InChIKeyGIQUYTLZSGUQLU-IJEWVQPXSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide (CID 99808546) is (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide is C[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NC2CCCCCC2)C1.
What is the InChIKey of (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
The InChIKey is GIQUYTLZSGUQLU-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13-8-7-11-16(12-13)20-14(2)17(19)18-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H,18,19)/t13-,14+,16-/m1/s1.
What are the key properties of (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide?
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide has a molecular weight of 281.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide is sourced from PubChem (CID 99808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).