3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide

C15H23N3O3 — CID 106274772

IUPAC3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)COc1ccccc1CN
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)9-21-12-7-5-4-6-11(12)8-16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUIQVCHAPFXMBFF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.41
Rot. Bonds7

About 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide

3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106274772) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106274772
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)COc1ccccc1CN
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)9-21-12-7-5-4-6-11(12)8-16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyUIQVCHAPFXMBFF-UHFFFAOYSA-N
XLogP0.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
3-[3-(2-aminophenoxy)propanoylamino]-N,2,2-trimethylpropanamide
CID 106274654
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
CID 107211898
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide (CID 106274772) is 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)COc1ccccc1CN.
What is the InChIKey of 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is UIQVCHAPFXMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,14(20)17-3)10-18-13(19)9-21-12-7-5-4-6-11(12)8-16/h4-7H,8-10,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).