3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride

C17H23ClN2OS — CID 119722719

IUPAC3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
SMILESCC(Cc1cccs1)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(11-15-9-6-10-21-15)19-17(20)13(2)16(18)14-7-4-3-5-8-14;/h3-10,12-13,16H,11,18H2,1-2H3,(H,19,20);1H
InChIKeyLILUYGDNVYQKAH-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.55
Rot. Bonds6

About 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride (PubChem CID 119722719) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
PubChem CID119722719
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
SMILESCC(Cc1cccs1)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-12(11-15-9-6-10-21-15)19-17(20)13(2)16(18)14-7-4-3-5-8-14;/h3-10,12-13,16H,11,18H2,1-2H3,(H,19,20);1H
InChIKeyLILUYGDNVYQKAH-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 112820242
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride (CID 119722719) is 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride is CC(Cc1cccs1)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is LILUYGDNVYQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-12(11-15-9-6-10-21-15)19-17(20)13(2)16(18)14-7-4-3-5-8-14;/h3-10,12-13,16H,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119722719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).