N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide

C14H27NO2 — CID 56786135

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(16)15-10-14(17)8-6-11(7-9-14)13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyUGRVLQOPGIYXCF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 56786135) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide
PubChem CID56786135
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide
SMILESCCC(=O)NCC1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-12(16)15-10-14(17)8-6-11(7-9-14)13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16)
InChIKeyUGRVLQOPGIYXCF-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide (CID 56786135) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide is CCC(=O)NCC1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is UGRVLQOPGIYXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-12(16)15-10-14(17)8-6-11(7-9-14)13(2,3)4/h11,17H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 56786135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).