3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate

C19H32N2O2 — CID 10448709

IUPAC3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate
SMILESCCN(CC)CCNc1ccc(CC(=O)OCCC(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-5-21(6-2)13-12-20-18-9-7-17(8-10-18)15-19(22)23-14-11-16(3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKeyGNLIXVLASZCVEY-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.57
Rot. Bonds11

About 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate

3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate (PubChem CID 10448709) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate.

Molecular Properties

Compound Name3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate
PubChem CID10448709
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate
SMILESCCN(CC)CCNc1ccc(CC(=O)OCCC(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-5-21(6-2)13-12-20-18-9-7-17(8-10-18)15-19(22)23-14-11-16(3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKeyGNLIXVLASZCVEY-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl 2-phenylacetate
CID 7600
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-[4-(trifluoromethyl)phenyl]acetate
CID 110185867
ethoxybenzene;3-methylbutyl 2-phenylacetate
CID 174913465
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
3-(3-methylbutylamino)propyl 2-phenylacetate
CID 82531995
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
CID 112985099

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate?
The IUPAC name of 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate (CID 10448709) is 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate.
What is the SMILES notation for 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate?
The canonical SMILES for 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate is CCN(CC)CCNc1ccc(CC(=O)OCCC(C)C)cc1.
What is the InChIKey of 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate?
The InChIKey is GNLIXVLASZCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-21(6-2)13-12-20-18-9-7-17(8-10-18)15-19(22)23-14-11-16(3)4/h7-10,16,20H,5-6,11-15H2,1-4H3.
What are the key properties of 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate?
3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate has a molecular weight of 320.48 g/mol, XLogP of 3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[4-[2-(diethylamino)ethylamino]phenyl]acetate is sourced from PubChem (CID 10448709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).