4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride

C19H27ClN2O2S — CID 120587303

IUPAC4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)Cc1ccc(C)s1.Cl
InChIInChI=1S/C19H26N2O2S.ClH/c1-15-8-9-18(24-15)14-21(19(22)12-17(13-20)23-2)11-10-16-6-4-3-5-7-16;/h3-9,17H,10-14,20H2,1-2H3;1H
InChIKeyQFNVBOLUBAWJGV-UHFFFAOYSA-N
MW382.96 g/mol
LogP3.41
Rot. Bonds9

About 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride

4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride (PubChem CID 120587303) has the molecular formula C19H27ClN2O2S and a molecular weight of 382.96 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
PubChem CID120587303
Molecular FormulaC19H27ClN2O2S
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC Name4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(CCc1ccccc1)Cc1ccc(C)s1.Cl
InChIInChI=1S/C19H26N2O2S.ClH/c1-15-8-9-18(24-15)14-21(19(22)12-17(13-20)23-2)11-10-16-6-4-3-5-7-16;/h3-9,17H,10-14,20H2,1-2H3;1H
InChIKeyQFNVBOLUBAWJGV-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120586577
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CID 120589443
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
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4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
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4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
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[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 9019787
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N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride (CID 120587303) is 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride is COC(CN)CC(=O)N(CCc1ccccc1)Cc1ccc(C)s1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride?
The InChIKey is QFNVBOLUBAWJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S.ClH/c1-15-8-9-18(24-15)14-21(19(22)12-17(13-20)23-2)11-10-16-6-4-3-5-7-16;/h3-9,17H,10-14,20H2,1-2H3;1H.
What are the key properties of 4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride has a molecular weight of 382.96 g/mol, XLogP of 3.41, 9 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-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride is sourced from PubChem (CID 120587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).