2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride

C17H25Cl2N5O3 — CID 120798729

IUPAC2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(OCCn2cncn2)c1)C1CCOCC1
InChIInChI=1S/C17H23N5O3.2ClH/c18-16(13-4-7-24-8-5-13)17(23)21-14-2-1-3-15(10-14)25-9-6-22-12-19-11-20-22;;/h1-3,10-13,16H,4-9,18H2,(H,21,23);2*1H
InChIKeyWWKPDOHNERANOW-UHFFFAOYSA-N
MW418.33 g/mol
LogP1.89
Rot. Bonds7

About 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride (PubChem CID 120798729) has the molecular formula C17H25Cl2N5O3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
PubChem CID120798729
Molecular FormulaC17H25Cl2N5O3
Molecular Weight418.33 g/mol
Exact Mass417.13
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(OCCn2cncn2)c1)C1CCOCC1
InChIInChI=1S/C17H23N5O3.2ClH/c18-16(13-4-7-24-8-5-13)17(23)21-14-2-1-3-15(10-14)25-9-6-22-12-19-11-20-22;;/h1-3,10-13,16H,4-9,18H2,(H,21,23);2*1H
InChIKeyWWKPDOHNERANOW-UHFFFAOYSA-N
XLogP1.89
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
4-(aminomethyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939727
2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
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2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
3-(4-morpholin-4-ylsulfonylphenyl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55880350
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride (CID 120798729) is 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1cccc(OCCn2cncn2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride?
The InChIKey is WWKPDOHNERANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.2ClH/c18-16(13-4-7-24-8-5-13)17(23)21-14-2-1-3-15(10-14)25-9-6-22-12-19-11-20-22;;/h1-3,10-13,16H,4-9,18H2,(H,21,23);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride has a molecular weight of 418.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 120798729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).