N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide

C14H22N2O2 — CID 54968038

IUPACN-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(C)CCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-13(17)12(9-10)14(18)15-11(2)7-8-16(3)4/h5-6,9,11,17H,7-8H2,1-4H3,(H,15,18)
InChIKeyDSXMVWXLZQMDGY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide

N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide (PubChem CID 54968038) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
PubChem CID54968038
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC(C)CCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-5-6-13(17)12(9-10)14(18)15-11(2)7-8-16(3)4/h5-6,9,11,17H,7-8H2,1-4H3,(H,15,18)
InChIKeyDSXMVWXLZQMDGY-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide (CID 54968038) is N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC(C)CCN(C)C)c1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide?
The InChIKey is DSXMVWXLZQMDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-13(17)12(9-10)14(18)15-11(2)7-8-16(3)4/h5-6,9,11,17H,7-8H2,1-4H3,(H,15,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide?
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 54968038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).