2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride

C17H22Cl2N4O3 — CID 120801133

IUPAC2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(Oc2cccnn2)c1)C1CCOCC1
InChIInChI=1S/C17H20N4O3.2ClH/c18-16(12-6-9-23-10-7-12)17(22)20-13-3-1-4-14(11-13)24-15-5-2-8-19-21-15;;/h1-5,8,11-12,16H,6-7,9-10,18H2,(H,20,22);2*1H
InChIKeyBIFMQXUWEAPSHZ-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.80
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride (PubChem CID 120801133) has the molecular formula C17H22Cl2N4O3 and a molecular weight of 401.29 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
PubChem CID120801133
Molecular FormulaC17H22Cl2N4O3
Molecular Weight401.29 g/mol
Exact Mass400.11
IUPAC Name2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1cccc(Oc2cccnn2)c1)C1CCOCC1
InChIInChI=1S/C17H20N4O3.2ClH/c18-16(12-6-9-23-10-7-12)17(22)20-13-3-1-4-14(11-13)24-15-5-2-8-19-21-15;;/h1-5,8,11-12,16H,6-7,9-10,18H2,(H,20,22);2*1H
InChIKeyBIFMQXUWEAPSHZ-UHFFFAOYSA-N
XLogP2.80
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-2-(oxan-4-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide;hydrochloride
CID 120785975
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-2-(oxan-4-yl)-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120794131
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride (CID 120801133) is 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1cccc(Oc2cccnn2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride?
The InChIKey is BIFMQXUWEAPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.2ClH/c18-16(12-6-9-23-10-7-12)17(22)20-13-3-1-4-14(11-13)24-15-5-2-8-19-21-15;;/h1-5,8,11-12,16H,6-7,9-10,18H2,(H,20,22);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride has a molecular weight of 401.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120801133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).