8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

C23H32N4O4 — CID 162798658

IUPAC8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCOc1cccc(CNC2CCCC(C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1
InChIInChI=1S/C23H32N4O4/c1-16-10-20(26-31-16)14-25-23(29)18-7-5-8-19(15-27(2)22(28)12-18)24-13-17-6-4-9-21(11-17)30-3/h4,6,9-11,18-19,24H,5,7-8,12-15H2,1-3H3,(H,25,29)
InChIKeyBYOOEPBHXHLXKZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.41
Rot. Bonds7

About 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (PubChem CID 162798658) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
PubChem CID162798658
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCOc1cccc(CNC2CCCC(C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1
InChIInChI=1S/C23H32N4O4/c1-16-10-20(26-31-16)14-25-23(29)18-7-5-8-19(15-27(2)22(28)12-18)24-13-17-6-4-9-21(11-17)30-3/h4,6,9-11,18-19,24H,5,7-8,12-15H2,1-3H3,(H,25,29)
InChIKeyBYOOEPBHXHLXKZ-UHFFFAOYSA-N
XLogP2.41
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (CID 162798658) is 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is COc1cccc(CNC2CCCC(C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The InChIKey is BYOOEPBHXHLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-16-10-20(26-31-16)14-25-23(29)18-7-5-8-19(15-27(2)22(28)12-18)24-13-17-6-4-9-21(11-17)30-3/h4,6,9-11,18-19,24H,5,7-8,12-15H2,1-3H3,(H,25,29).
What are the key properties of 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methylamino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).