N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

C18H25ClN2O2S — CID 119685033

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-14(11-19-2)18(21)20(13-16-8-6-10-23-16)12-15-7-4-5-9-17(15)22-3;/h4-10,14,19H,11-13H2,1-3H3;1H
InChIKeyJAVPGYBZRNHTIA-UHFFFAOYSA-N
MW368.93 g/mol
LogP3.56
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119685033) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
PubChem CID119685033
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-14(11-19-2)18(21)20(13-16-8-6-10-23-16)12-15-7-4-5-9-17(15)22-3;/h4-10,14,19H,11-13H2,1-3H3;1H
InChIKeyJAVPGYBZRNHTIA-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 112795029
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119685041
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride (CID 119685033) is N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is CNCC(C)C(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is JAVPGYBZRNHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.ClH/c1-14(11-19-2)18(21)20(13-16-8-6-10-23-16)12-15-7-4-5-9-17(15)22-3;/h4-10,14,19H,11-13H2,1-3H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119685033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).