2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide

C13H19ClN2O2 — CID 54869980

IUPAC2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14/h4-7,11H,3,8-9,15H2,1-2H3
InChIKeyXSYHOKFFKCYVGM-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.91
Rot. Bonds6

About 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide

2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide (PubChem CID 54869980) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
PubChem CID54869980
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14/h4-7,11H,3,8-9,15H2,1-2H3
InChIKeyXSYHOKFFKCYVGM-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide (CID 54869980) is 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide is CCC(N)C(=O)N(C)CCOc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide?
The InChIKey is XSYHOKFFKCYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14/h4-7,11H,3,8-9,15H2,1-2H3.
What are the key properties of 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide?
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 54869980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).