2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide

C14H18N4O2 — CID 63295676

IUPAC2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)COc1ccccc1CN
InChIInChI=1S/C14H18N4O2/c1-18-7-6-16-13(18)9-17-14(19)10-20-12-5-3-2-4-11(12)8-15/h2-7H,8-10,15H2,1H3,(H,17,19)
InChIKeyNFNPREKACBWQEH-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 63295676) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID63295676
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)COc1ccccc1CN
InChIInChI=1S/C14H18N4O2/c1-18-7-6-16-13(18)9-17-14(19)10-20-12-5-3-2-4-11(12)8-15/h2-7H,8-10,15H2,1H3,(H,17,19)
InChIKeyNFNPREKACBWQEH-UHFFFAOYSA-N
XLogP0.57
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
CID 107211898
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 96526742
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 63295676) is 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CNC(=O)COc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is NFNPREKACBWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-7-6-16-13(18)9-17-14(19)10-20-12-5-3-2-4-11(12)8-15/h2-7H,8-10,15H2,1H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 63295676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).