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

C15H25ClN2O3 — CID 120587503

IUPAC4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12-5-4-6-13(9-12)20-8-7-17(2)15(18)10-14(11-16)19-3;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H
InChIKeyPXOCWFZQRYDVMD-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.62
Rot. Bonds8

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

4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride (PubChem CID 120587503) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
PubChem CID120587503
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-12-5-4-6-13(9-12)20-8-7-17(2)15(18)10-14(11-16)19-3;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H
InChIKeyPXOCWFZQRYDVMD-UHFFFAOYSA-N
XLogP1.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride (CID 120587503) is 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride is COC(CN)CC(=O)N(C)CCOc1cccc(C)c1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is PXOCWFZQRYDVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-12-5-4-6-13(9-12)20-8-7-17(2)15(18)10-14(11-16)19-3;/h4-6,9,14H,7-8,10-11,16H2,1-3H3;1H.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120587503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).