N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide

C15H29NO2 — CID 58454419

IUPACN-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide
SMILESCC(=O)NC1CC(C)(C)CC(C)(CC[C@H](C)O)C1
InChIInChI=1S/C15H29NO2/c1-11(17)6-7-15(5)9-13(16-12(2)18)8-14(3,4)10-15/h11,13,17H,6-10H2,1-5H3,(H,16,18)/t11-,13?,15?/m0/s1
InChIKeyZBZBBMCMIYSRBO-ZOODHJKOSA-N
MW255.40 g/mol
LogP2.87
Rot. Bonds4

About N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide

N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide (PubChem CID 58454419) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide
PubChem CID58454419
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide
SMILESCC(=O)NC1CC(C)(C)CC(C)(CC[C@H](C)O)C1
InChIInChI=1S/C15H29NO2/c1-11(17)6-7-15(5)9-13(16-12(2)18)8-14(3,4)10-15/h11,13,17H,6-10H2,1-5H3,(H,16,18)/t11-,13?,15?/m0/s1
InChIKeyZBZBBMCMIYSRBO-ZOODHJKOSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide?
The IUPAC name of N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide (CID 58454419) is N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide is CC(=O)NC1CC(C)(C)CC(C)(CC[C@H](C)O)C1.
What is the InChIKey of N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide?
The InChIKey is ZBZBBMCMIYSRBO-ZOODHJKOSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(17)6-7-15(5)9-13(16-12(2)18)8-14(3,4)10-15/h11,13,17H,6-10H2,1-5H3,(H,16,18)/t11-,13?,15?/m0/s1.
What are the key properties of N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide?
N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide has a molecular weight of 255.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 58454419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).