3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide

C15H24N2O2 — CID 115154407

IUPAC3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCOc1ccc(CCN(C)C(=O)CC(C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)9-10-17(3)15(18)11-12(2)16/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyMRBZXDGAKPEJIX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide

3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 115154407) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID115154407
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
SMILESCCOc1ccc(CCN(C)C(=O)CC(C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)9-10-17(3)15(18)11-12(2)16/h5-8,12H,4,9-11,16H2,1-3H3
InChIKeyMRBZXDGAKPEJIX-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide (CID 115154407) is 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide is CCOc1ccc(CCN(C)C(=O)CC(C)N)cc1.
What is the InChIKey of 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is MRBZXDGAKPEJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)9-10-17(3)15(18)11-12(2)16/h5-8,12H,4,9-11,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide?
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115154407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).