2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide

C14H20N2O2 — CID 54930853

IUPAC2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
SMILESNCCc1cccc(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H20N2O2/c15-7-6-11-2-1-3-13(8-11)18-10-14(17)16-9-12-4-5-12/h1-3,8,12H,4-7,9-10,15H2,(H,16,17)
InChIKeyKFAUJHKEKNQOCB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds7

About 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide

2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 54930853) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID54930853
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
SMILESNCCc1cccc(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C14H20N2O2/c15-7-6-11-2-1-3-13(8-11)18-10-14(17)16-9-12-4-5-12/h1-3,8,12H,4-7,9-10,15H2,(H,16,17)
InChIKeyKFAUJHKEKNQOCB-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
2-[3-(aminomethyl)phenoxy]-N-cycloheptylacetamide
CID 62548613
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide (CID 54930853) is 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide is NCCc1cccc(OCC(=O)NCC2CC2)c1.
What is the InChIKey of 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is KFAUJHKEKNQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-7-6-11-2-1-3-13(8-11)18-10-14(17)16-9-12-4-5-12/h1-3,8,12H,4-7,9-10,15H2,(H,16,17).
What are the key properties of 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide?
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 54930853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).