4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride

C14H23ClN2O3 — CID 120589848

IUPAC4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccccc1C.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11-5-3-4-6-13(11)19-8-7-16-14(17)9-12(10-15)18-2;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyLXKUTONOYKGEIY-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.28
Rot. Bonds8

About 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride (PubChem CID 120589848) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
PubChem CID120589848
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCCOc1ccccc1C.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11-5-3-4-6-13(11)19-8-7-16-14(17)9-12(10-15)18-2;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyLXKUTONOYKGEIY-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-methoxybutanamide
CID 120597523
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride (CID 120589848) is 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride is COC(CN)CC(=O)NCCOc1ccccc1C.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is LXKUTONOYKGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-11-5-3-4-6-13(11)19-8-7-16-14(17)9-12(10-15)18-2;/h3-6,12H,7-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).