N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide

C18H24N2O2S — CID 119821290

IUPACN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(Cc1ccccc1)CC(O)c1ccsc1
InChIInChI=1S/C18H24N2O2S/c1-14(10-19-2)18(22)20(11-15-6-4-3-5-7-15)12-17(21)16-8-9-23-13-16/h3-9,13-14,17,19,21H,10-12H2,1-2H3
InChIKeyVIKBLAYMIDEVBK-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.67
Rot. Bonds8

About N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide

N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 119821290) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
PubChem CID119821290
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(Cc1ccccc1)CC(O)c1ccsc1
InChIInChI=1S/C18H24N2O2S/c1-14(10-19-2)18(22)20(11-15-6-4-3-5-7-15)12-17(21)16-8-9-23-13-16/h3-9,13-14,17,19,21H,10-12H2,1-2H3
InChIKeyVIKBLAYMIDEVBK-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2,2-difluoroethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807971
N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 71854734
N-benzyl-1-cyclopropyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]pyrrole-2-carboxamide
CID 97340977
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-piperidin-4-ylbutanamide
CID 119821292
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
N-benzyl-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 166510435
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 96997911
N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide (CID 119821290) is N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(Cc1ccccc1)CC(O)c1ccsc1.
What is the InChIKey of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is VIKBLAYMIDEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14(10-19-2)18(22)20(11-15-6-4-3-5-7-15)12-17(21)16-8-9-23-13-16/h3-9,13-14,17,19,21H,10-12H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide?
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 332.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119821290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).