(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide

C14H22N2O3 — CID 79024598

IUPAC(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-4-13(15)14(17)16(2)9-10-19-12-7-5-11(18-3)6-8-12/h5-8,13H,4,9-10,15H2,1-3H3/t13-/m0/s1
InChIKeyJFWCOADPNYMCLE-ZDUSSCGKSA-N
MW266.34 g/mol
LogP1.27
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide

(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide (PubChem CID 79024598) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
PubChem CID79024598
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-4-13(15)14(17)16(2)9-10-19-12-7-5-11(18-3)6-8-12/h5-8,13H,4,9-10,15H2,1-3H3/t13-/m0/s1
InChIKeyJFWCOADPNYMCLE-ZDUSSCGKSA-N
XLogP1.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
CID 119956088
3-amino-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 106111938
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
(2S)-2-amino-N-[3-(4-chlorophenoxy)propyl]-3-(4-methoxyphenyl)-N-methylpropanamide;hydrochloride
CID 154912325
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide (CID 79024598) is (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide is CC[C@H](N)C(=O)N(C)CCOc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
The InChIKey is JFWCOADPNYMCLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-13(15)14(17)16(2)9-10-19-12-7-5-11(18-3)6-8-12/h5-8,13H,4,9-10,15H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide?
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 79024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).