N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide

C12H21NO4 — CID 115760131

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1COCCO1
InChIInChI=1S/C12H21NO4/c1-13(9-12(15)4-2-3-5-12)11(14)10-8-16-6-7-17-10/h10,15H,2-9H2,1H3
InChIKeyLUMCRCMJFRUVJY-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.17
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide (PubChem CID 115760131) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
PubChem CID115760131
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)C1COCCO1
InChIInChI=1S/C12H21NO4/c1-13(9-12(15)4-2-3-5-12)11(14)10-8-16-6-7-17-10/h10,15H,2-9H2,1H3
InChIKeyLUMCRCMJFRUVJY-UHFFFAOYSA-N
XLogP0.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332
N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
N-methyl-N-(piperidin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 79721400
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
N-methyl-N-(2-piperidin-2-ylethyl)-1,4-dioxane-2-carboxamide
CID 55119756
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952638
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 114950415
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-1,4-dioxane-2-carboxamide
CID 79111758
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide (CID 115760131) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide is CN(CC1(O)CCCC1)C(=O)C1COCCO1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide?
The InChIKey is LUMCRCMJFRUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(9-12(15)4-2-3-5-12)11(14)10-8-16-6-7-17-10/h10,15H,2-9H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide has a molecular weight of 243.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 115760131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).