N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide

C14H25NO3 — CID 112700992

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H25NO3/c1-11-5-8-18-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyIHCVHUYLYJTKAL-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide (PubChem CID 112700992) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
PubChem CID112700992
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H25NO3/c1-11-5-8-18-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyIHCVHUYLYJTKAL-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945543
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide (CID 112700992) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide?
The InChIKey is IHCVHUYLYJTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11-5-8-18-12(11)13(17)15-9-14(10-16)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 112700992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).