2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide

C21H32N2O4 — CID 120789798

IUPAC2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1ccc(C2(CNC(=O)C(N)C3CCOCC3)CCOCC2)cc1
InChIInChI=1S/C21H32N2O4/c1-2-27-18-5-3-17(4-6-18)21(9-13-26-14-10-21)15-23-20(24)19(22)16-7-11-25-12-8-16/h3-6,16,19H,2,7-15,22H2,1H3,(H,23,24)
InChIKeyYOFQFRDPWOVANG-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120789798) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120789798
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1ccc(C2(CNC(=O)C(N)C3CCOCC3)CCOCC2)cc1
InChIInChI=1S/C21H32N2O4/c1-2-27-18-5-3-17(4-6-18)21(9-13-26-14-10-21)15-23-20(24)19(22)16-7-11-25-12-8-16/h3-6,16,19H,2,7-15,22H2,1H3,(H,23,24)
InChIKeyYOFQFRDPWOVANG-UHFFFAOYSA-N
XLogP2.00
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56581468
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749561
2-(4-chloro-2-fluorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008861
ethyl 1-[N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157195

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide (CID 120789798) is 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide is CCOc1ccc(C2(CNC(=O)C(N)C3CCOCC3)CCOCC2)cc1.
What is the InChIKey of 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is YOFQFRDPWOVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-2-27-18-5-3-17(4-6-18)21(9-13-26-14-10-21)15-23-20(24)19(22)16-7-11-25-12-8-16/h3-6,16,19H,2,7-15,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120789798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).