N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide

C16H26N2O3 — CID 115281366

IUPACN-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
SMILESCCOc1cccc(CNCC(=O)NC(C)(C)C)c1OC
InChIInChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(15(13)20-5)10-17-11-14(19)18-16(2,3)4/h7-9,17H,6,10-11H2,1-5H3,(H,18,19)
InChIKeyWCZNBVMXRGUCKN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds7

About N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide

N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide (PubChem CID 115281366) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
PubChem CID115281366
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
SMILESCCOc1cccc(CNCC(=O)NC(C)(C)C)c1OC
InChIInChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(15(13)20-5)10-17-11-14(19)18-16(2,3)4/h7-9,17H,6,10-11H2,1-5H3,(H,18,19)
InChIKeyWCZNBVMXRGUCKN-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[[N-[(2,3-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111385307
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
CID 18118508
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide (CID 115281366) is N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide is CCOc1cccc(CNCC(=O)NC(C)(C)C)c1OC.
What is the InChIKey of N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide?
The InChIKey is WCZNBVMXRGUCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(15(13)20-5)10-17-11-14(19)18-16(2,3)4/h7-9,17H,6,10-11H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide?
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 115281366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).