N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide

C13H25NO3 — CID 113258787

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,17-3)11(16)14-9-13(10-15)7-5-4-6-8-13/h15H,4-10H2,1-3H3,(H,14,16)
InChIKeySUTKGMSMENGSFR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.47
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide (PubChem CID 113258787) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
PubChem CID113258787
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO3/c1-12(2,17-3)11(16)14-9-13(10-15)7-5-4-6-8-13/h15H,4-10H2,1-3H3,(H,14,16)
InChIKeySUTKGMSMENGSFR-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
2-cyano-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbutanamide
CID 113359686
2-methoxy-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]propanamide
CID 103021657
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
[1-[(tert-butylamino)methyl]cyclopentyl]methanol
CID 154955274
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603229
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbutanamide
CID 114142799
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide (CID 113258787) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide?
The InChIKey is SUTKGMSMENGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,17-3)11(16)14-9-13(10-15)7-5-4-6-8-13/h15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.47, 5 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]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 113258787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).