4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide

C15H24N2O2 — CID 114480433

IUPAC4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
SMILESCCC(O)(CC)CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-9-13-7-6-12(14(16)18)8-11(13)3/h6-8,17,19H,4-5,9-10H2,1-3H3,(H2,16,18)
InChIKeyBGJPOPQDFRQFET-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds7

About 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide

4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide (PubChem CID 114480433) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
PubChem CID114480433
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
SMILESCCC(O)(CC)CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-9-13-7-6-12(14(16)18)8-11(13)3/h6-8,17,19H,4-5,9-10H2,1-3H3,(H2,16,18)
InChIKeyBGJPOPQDFRQFET-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]-3-methylbenzamide
CID 106147368
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
CID 114480836
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
4-(anilinomethyl)-3-methylbenzamide
CID 114479545

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide (CID 114480433) is 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide is CCC(O)(CC)CNCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide?
The InChIKey is BGJPOPQDFRQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(19,5-2)10-17-9-13-7-6-12(14(16)18)8-11(13)3/h6-8,17,19H,4-5,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide?
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).