2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C14H19N3O3 — CID 106249589

IUPAC2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2ccc(CN)cc2)C1=O
InChIInChI=1S/C14H19N3O3/c1-17-7-6-12(14(17)19)16-13(18)9-20-11-4-2-10(8-15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,18)
InChIKeyFNXKAKFWVBDVCP-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.13
Rot. Bonds5

About 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 106249589) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID106249589
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)COc2ccc(CN)cc2)C1=O
InChIInChI=1S/C14H19N3O3/c1-17-7-6-12(14(17)19)16-13(18)9-20-11-4-2-10(8-15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,18)
InChIKeyFNXKAKFWVBDVCP-UHFFFAOYSA-N
XLogP-0.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichlorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 71994594
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetamide
CID 99817535
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 106249589) is 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)COc2ccc(CN)cc2)C1=O.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is FNXKAKFWVBDVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-17-7-6-12(14(17)19)16-13(18)9-20-11-4-2-10(8-15)3-5-11/h2-5,12H,6-9,15H2,1H3,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 106249589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).