N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

C16H24N2O3 — CID 105418504

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC2(N(C)C)CCC2)c1O
InChIInChI=1S/C16H24N2O3/c1-17(2)16(9-6-10-16)11-18(3)15(20)12-7-5-8-13(21-4)14(12)19/h5,7-8,19H,6,9-11H2,1-4H3
InChIKeyWLBCALIFDYXLNF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (PubChem CID 105418504) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
PubChem CID105418504
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC2(N(C)C)CCC2)c1O
InChIInChI=1S/C16H24N2O3/c1-17(2)16(9-6-10-16)11-18(3)15(20)12-7-5-8-13(21-4)14(12)19/h5,7-8,19H,6,9-11H2,1-4H3
InChIKeyWLBCALIFDYXLNF-UHFFFAOYSA-N
XLogP1.96
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607936
2-hydroxy-3-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234295
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2-hydroxy-3-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738116
2-hydroxy-3-methoxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924906
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
CID 105420080
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
N-[(2-fluorophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 60628184
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 105413428
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-N-propylbenzamide
CID 60655994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide (CID 105418504) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CC2(N(C)C)CCC2)c1O.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
The InChIKey is WLBCALIFDYXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17(2)16(9-6-10-16)11-18(3)15(20)12-7-5-8-13(21-4)14(12)19/h5,7-8,19H,6,9-11H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 105418504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).