(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride

C17H29Cl2N3O3 — CID 119865316

IUPAC(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCc1cccc(OCCN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-2-16(18)17(21)19-13-14-4-3-5-15(12-14)23-11-8-20-6-9-22-10-7-20;;/h3-5,12,16H,2,6-11,13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1
InChIKeyJLNALQZYXMVJMR-SQKCAUCHSA-N
MW394.34 g/mol
LogP1.59
Rot. Bonds8

About (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride

(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride (PubChem CID 119865316) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
PubChem CID119865316
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCc1cccc(OCCN2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-2-16(18)17(21)19-13-14-4-3-5-15(12-14)23-11-8-20-6-9-22-10-7-20;;/h3-5,12,16H,2,6-11,13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1
InChIKeyJLNALQZYXMVJMR-SQKCAUCHSA-N
XLogP1.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-propylguanidine;hydroiodide
CID 111227284
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride (CID 119865316) is (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NCc1cccc(OCCN2CCOCC2)c1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is JLNALQZYXMVJMR-SQKCAUCHSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-2-16(18)17(21)19-13-14-4-3-5-15(12-14)23-11-8-20-6-9-22-10-7-20;;/h3-5,12,16H,2,6-11,13,18H2,1H3,(H,19,21);2*1H/t16-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119865316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).