2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide

C14H20N2O2S — CID 76893763

IUPAC2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(N)Cc1ccc(O)cc1)C1CCSC1
InChIInChI=1S/C14H20N2O2S/c1-16(11-6-7-19-9-11)14(18)13(15)8-10-2-4-12(17)5-3-10/h2-5,11,13,17H,6-9,15H2,1H3
InChIKeyAMCADEOHBCYJGO-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide (PubChem CID 76893763) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
PubChem CID76893763
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(N)Cc1ccc(O)cc1)C1CCSC1
InChIInChI=1S/C14H20N2O2S/c1-16(11-6-7-19-9-11)14(18)13(15)8-10-2-4-12(17)5-3-10/h2-5,11,13,17H,6-9,15H2,1H3
InChIKeyAMCADEOHBCYJGO-UHFFFAOYSA-N
XLogP1.23
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 76895085
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-cyclopentyl-3-(4-hydroxyphenyl)-N-prop-2-enylpropanamide
CID 104904891
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide (CID 76893763) is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide is CN(C(=O)C(N)Cc1ccc(O)cc1)C1CCSC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide?
The InChIKey is AMCADEOHBCYJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(11-6-7-19-9-11)14(18)13(15)8-10-2-4-12(17)5-3-10/h2-5,11,13,17H,6-9,15H2,1H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 76893763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).