3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide

C21H28N2O2 — CID 58276526

IUPAC3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
SMILESCC(C)CCN(C)CCOc1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)11-12-23(3)13-14-25-20-9-7-17(8-10-20)18-5-4-6-19(15-18)21(22)24/h4-10,15-16H,11-14H2,1-3H3,(H2,22,24)
InChIKeyNDJXPQJPFCKSMG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.81
Rot. Bonds9

About 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide

3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide (PubChem CID 58276526) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
PubChem CID58276526
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
SMILESCC(C)CCN(C)CCOc1ccc(-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(2)11-12-23(3)13-14-25-20-9-7-17(8-10-20)18-5-4-6-19(15-18)21(22)24/h4-10,15-16H,11-14H2,1-3H3,(H2,22,24)
InChIKeyNDJXPQJPFCKSMG-UHFFFAOYSA-N
XLogP3.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629597
4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
4-[3-[[(2S)-5-methylhexan-2-yl]amino]-3-oxopropoxy]benzamide
CID 95972620
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
CID 59316491
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide?
The IUPAC name of 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide (CID 58276526) is 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide is CC(C)CCN(C)CCOc1ccc(-c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide?
The InChIKey is NDJXPQJPFCKSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(2)11-12-23(3)13-14-25-20-9-7-17(8-10-20)18-5-4-6-19(15-18)21(22)24/h4-10,15-16H,11-14H2,1-3H3,(H2,22,24).
What are the key properties of 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide?
3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide is sourced from PubChem (CID 58276526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).