2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide

C14H22N2O2 — CID 55031831

IUPAC2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(4-2)16-14(17)10-18-13-7-5-6-11(8-13)9-15/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyYKUSMXCJISCBBK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide

2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 55031831) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID55031831
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(4-2)16-14(17)10-18-13-7-5-6-11(8-13)9-15/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyYKUSMXCJISCBBK-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767310
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 46741581
N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43278475
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide (CID 55031831) is 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is YKUSMXCJISCBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(4-2)16-14(17)10-18-13-7-5-6-11(8-13)9-15/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 55031831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).