methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate

C15H24N2O3 — CID 115352749

IUPACmethyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
SMILESCCC(Nc1cccc(OCCN(C)C)c1)C(=O)OC
InChIInChI=1S/C15H24N2O3/c1-5-14(15(18)19-4)16-12-7-6-8-13(11-12)20-10-9-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyKJXHTMHNVHKQIJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.99
Rot. Bonds8

About methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate

methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate (PubChem CID 115352749) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
PubChem CID115352749
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
SMILESCCC(Nc1cccc(OCCN(C)C)c1)C(=O)OC
InChIInChI=1S/C15H24N2O3/c1-5-14(15(18)19-4)16-12-7-6-8-13(11-12)20-10-9-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3
InChIKeyKJXHTMHNVHKQIJ-UHFFFAOYSA-N
XLogP1.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
methyl (2R)-2-anilinobutanoate
CID 51891380
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate?
The IUPAC name of methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate (CID 115352749) is methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate.
What is the SMILES notation for methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate?
The canonical SMILES for methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate is CCC(Nc1cccc(OCCN(C)C)c1)C(=O)OC.
What is the InChIKey of methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate?
The InChIKey is KJXHTMHNVHKQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-14(15(18)19-4)16-12-7-6-8-13(11-12)20-10-9-17(2)3/h6-8,11,14,16H,5,9-10H2,1-4H3.
What are the key properties of methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate?
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate has a molecular weight of 280.37 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate is sourced from PubChem (CID 115352749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).