(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride

C14H23ClN2O2 — CID 119274564

IUPAC(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16(3)8-9-18-12-7-5-6-11(2)10-12;/h5-7,10,13H,4,8-9,15H2,1-3H3;1H/t13-;/m0./s1
InChIKeyNXQQAYMWSVDAPS-ZOWNYOTGSA-N
MW286.80 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride

(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride (PubChem CID 119274564) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
PubChem CID119274564
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16(3)8-9-18-12-7-5-6-11(2)10-12;/h5-7,10,13H,4,8-9,15H2,1-3H3;1H/t13-;/m0./s1
InChIKeyNXQQAYMWSVDAPS-ZOWNYOTGSA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride (CID 119274564) is (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)N(C)CCOc1cccc(C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is NXQQAYMWSVDAPS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-4-13(15)14(17)16(3)8-9-18-12-7-5-6-11(2)10-12;/h5-7,10,13H,4,8-9,15H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119274564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).