2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide

C20H25N3O4 — CID 120797996

IUPAC2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C(N)C3CCOCC3)cn2)c1
InChIInChI=1S/C20H25N3O4/c1-25-16-3-2-4-17(11-16)27-18-6-5-14(12-22-18)13-23-20(24)19(21)15-7-9-26-10-8-15/h2-6,11-12,15,19H,7-10,13,21H2,1H3,(H,23,24)
InChIKeyUYJMMZSLKQYRAK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.25
Rot. Bonds7

About 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120797996) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120797996
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C(N)C3CCOCC3)cn2)c1
InChIInChI=1S/C20H25N3O4/c1-25-16-3-2-4-17(11-16)27-18-6-5-14(12-22-18)13-23-20(24)19(21)15-7-9-26-10-8-15/h2-6,11-12,15,19H,7-10,13,21H2,1H3,(H,23,24)
InChIKeyUYJMMZSLKQYRAK-UHFFFAOYSA-N
XLogP2.25
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799429
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
2-amino-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797991
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide (CID 120797996) is 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide is COc1cccc(Oc2ccc(CNC(=O)C(N)C3CCOCC3)cn2)c1.
What is the InChIKey of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is UYJMMZSLKQYRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-16-3-2-4-17(11-16)27-18-6-5-14(12-22-18)13-23-20(24)19(21)15-7-9-26-10-8-15/h2-6,11-12,15,19H,7-10,13,21H2,1H3,(H,23,24).
What are the key properties of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).