N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride

C18H27ClN2O2S2 — CID 119572869

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1.Cl
InChIInChI=1S/C18H26N2O2S2.ClH/c1-18(12-19,14-5-6-14)20-16(21)11-22-15-7-3-13(4-8-15)17-23-9-2-10-24-17;/h3-4,7-8,14,17H,2,5-6,9-12,19H2,1H3,(H,20,21);1H
InChIKeyOXKDMBCFODHMNI-UHFFFAOYSA-N
MW403.01 g/mol
LogP3.60
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride (PubChem CID 119572869) has the molecular formula C18H27ClN2O2S2 and a molecular weight of 403.01 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
PubChem CID119572869
Molecular FormulaC18H27ClN2O2S2
Molecular Weight403.01 g/mol
Exact Mass402.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
SMILESCC(CN)(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1.Cl
InChIInChI=1S/C18H26N2O2S2.ClH/c1-18(12-19,14-5-6-14)20-16(21)11-22-15-7-3-13(4-8-15)17-23-9-2-10-24-17;/h3-4,7-8,14,17H,2,5-6,9-12,19H2,1H3,(H,20,21);1H
InChIKeyOXKDMBCFODHMNI-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.01
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 119573205
N-(2-amino-1-cyclopropylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119613592
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119573576
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460626
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8595513
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride (CID 119572869) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride is CC(CN)(NC(=O)COc1ccc(C2SCCCS2)cc1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
The InChIKey is OXKDMBCFODHMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S2.ClH/c1-18(12-19,14-5-6-14)20-16(21)11-22-15-7-3-13(4-8-15)17-23-9-2-10-24-17;/h3-4,7-8,14,17H,2,5-6,9-12,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride has a molecular weight of 403.01 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119572869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).