N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide

C16H31NO2 — CID 106122177

IUPACN-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1CCC(O)CC1)CC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-12(10-16(2,3)4)9-15(19)17-11-13-5-7-14(18)8-6-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyMEMNVVKLUSXOAR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide

N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide (PubChem CID 106122177) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide
PubChem CID106122177
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1CCC(O)CC1)CC(C)(C)C
InChIInChI=1S/C16H31NO2/c1-12(10-16(2,3)4)9-15(19)17-11-13-5-7-14(18)8-6-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyMEMNVVKLUSXOAR-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide (CID 106122177) is N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCC1CCC(O)CC1)CC(C)(C)C.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide?
The InChIKey is MEMNVVKLUSXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(10-16(2,3)4)9-15(19)17-11-13-5-7-14(18)8-6-13/h12-14,18H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide?
N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide has a molecular weight of 269.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 106122177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).