2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

C18H28N2O5 — CID 120790520

IUPAC2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1c(OC)cc(CNC(=O)C(N)C2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O5/c1-4-25-17-14(22-2)9-12(10-15(17)23-3)11-20-18(21)16(19)13-5-7-24-8-6-13/h9-10,13,16H,4-8,11,19H2,1-3H3,(H,20,21)
InChIKeyBKPGSYZIGHMQNE-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.47
Rot. Bonds8

About 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120790520) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120790520
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESCCOc1c(OC)cc(CNC(=O)C(N)C2CCOCC2)cc1OC
InChIInChI=1S/C18H28N2O5/c1-4-25-17-14(22-2)9-12(10-15(17)23-3)11-20-18(21)16(19)13-5-7-24-8-6-13/h9-10,13,16H,4-8,11,19H2,1-3H3,(H,20,21)
InChIKeyBKPGSYZIGHMQNE-UHFFFAOYSA-N
XLogP1.47
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide (CID 120790520) is 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide is CCOc1c(OC)cc(CNC(=O)C(N)C2CCOCC2)cc1OC.
What is the InChIKey of 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is BKPGSYZIGHMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-4-25-17-14(22-2)9-12(10-15(17)23-3)11-20-18(21)16(19)13-5-7-24-8-6-13/h9-10,13,16H,4-8,11,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).