N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

C16H29NO3 — CID 65160521

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C16H29NO3/c1-10-6-5-7-16(19,8-10)9-17-15(18)14-11(2)12(3)20-13(14)4/h10-14,19H,5-9H2,1-4H3,(H,17,18)
InChIKeyUFKVBBOWJDFAKC-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.10
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65160521) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65160521
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2C(C)OC(C)C2C)C1
InChIInChI=1S/C16H29NO3/c1-10-6-5-7-16(19,8-10)9-17-15(18)14-11(2)12(3)20-13(14)4/h10-14,19H,5-9H2,1-4H3,(H,17,18)
InChIKeyUFKVBBOWJDFAKC-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779592
N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
CID 65119800
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 65160521) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1CCCC(O)(CNC(=O)C2C(C)OC(C)C2C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is UFKVBBOWJDFAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-10-6-5-7-16(19,8-10)9-17-15(18)14-11(2)12(3)20-13(14)4/h10-14,19H,5-9H2,1-4H3,(H,17,18).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65160521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).