N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide

C15H22N2O3 — CID 105418472

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(N(C)C)CCC2)c1
InChIInChI=1S/C15H22N2O3/c1-17(2)15(7-4-8-15)10-16-14(19)12-9-11(20-3)5-6-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyNHHHHZFMITZJAK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.61
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 105418472) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
PubChem CID105418472
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC2(N(C)C)CCC2)c1
InChIInChI=1S/C15H22N2O3/c1-17(2)15(7-4-8-15)10-16-14(19)12-9-11(20-3)5-6-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyNHHHHZFMITZJAK-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 103969819
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxy-4-iodobenzamide
CID 104627729

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide (CID 105418472) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC2(N(C)C)CCC2)c1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is NHHHHZFMITZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)15(7-4-8-15)10-16-14(19)12-9-11(20-3)5-6-13(12)18/h5-6,9,18H,4,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 105418472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).