N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide

C15H21NO3 — CID 114630677

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C15H21NO3/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-5-10(7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyKIVQWXLDTRJBKK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.72
Rot. Bonds4

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide (PubChem CID 114630677) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
PubChem CID114630677
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NC2CC(O)C2(C)C)c1
InChIInChI=1S/C15H21NO3/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-5-10(7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyKIVQWXLDTRJBKK-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
2-hydroxy-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methoxybenzamide
CID 114630957
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoylmethyl]benzoic acid
CID 114628915
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
N'-(cyclohexanecarbonyl)-3-(methoxymethyl)benzohydrazide
CID 9327271
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide (CID 114630677) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NC2CC(O)C2(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide?
The InChIKey is KIVQWXLDTRJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)12(8-13(15)17)16-14(18)11-6-4-5-10(7-11)9-19-3/h4-7,12-13,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide is sourced from PubChem (CID 114630677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).