N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide

C14H19NO4 — CID 66004920

IUPACN-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H19NO4/c1-18-11-4-3-5-12(19-2)13(11)14(17)15-8-9-6-10(16)7-9/h3-5,9-10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyMDFJPFXKLBNMCW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide

N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide (PubChem CID 66004920) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
PubChem CID66004920
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H19NO4/c1-18-11-4-3-5-12(19-2)13(11)14(17)15-8-9-6-10(16)7-9/h3-5,9-10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyMDFJPFXKLBNMCW-UHFFFAOYSA-N
XLogP1.20
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
2-fluoro-6-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107015730
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
CID 66005162
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2,6-dimethoxybenzohydrazide
CID 2806104

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide (CID 66004920) is N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide?
The InChIKey is MDFJPFXKLBNMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-11-4-3-5-12(19-2)13(11)14(17)15-8-9-6-10(16)7-9/h3-5,9-10,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide?
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 66004920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).