2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C18H25ClN2O3S — CID 119685041

IUPAC2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCOCCNCC(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-22-10-9-19-12-18(21)20(14-16-7-5-11-24-16)13-15-6-3-4-8-17(15)23-2;/h3-8,11,19H,9-10,12-14H2,1-2H3;1H
InChIKeyNXWPGWAZYXRBHO-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.94
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119685041) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119685041
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCOCCNCC(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-22-10-9-19-12-18(21)20(14-16-7-5-11-24-16)13-15-6-3-4-8-17(15)23-2;/h3-8,11,19H,9-10,12-14H2,1-2H3;1H
InChIKeyNXWPGWAZYXRBHO-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
CID 55332875
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-methoxyphenyl)methyl]-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 24627559
N-[(2-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119685033
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119685041) is 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is COCCNCC(=O)N(Cc1cccs1)Cc1ccccc1OC.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is NXWPGWAZYXRBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-22-10-9-19-12-18(21)20(14-16-7-5-11-24-16)13-15-6-3-4-8-17(15)23-2;/h3-8,11,19H,9-10,12-14H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119685041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).