2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide

C15H24N2O2 — CID 54929359

IUPAC2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(CC(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-4-12(3)17-15(18)10-19-14-7-5-6-13(9-14)8-11(2)16/h5-7,9,11-12H,4,8,10,16H2,1-3H3,(H,17,18)
InChIKeyGCBCOBVUTRRQNI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds7

About 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide

2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide (PubChem CID 54929359) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
PubChem CID54929359
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(CC(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-4-12(3)17-15(18)10-19-14-7-5-6-13(9-14)8-11(2)16/h5-7,9,11-12H,4,8,10,16H2,1-3H3,(H,17,18)
InChIKeyGCBCOBVUTRRQNI-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43278475
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
N-butan-2-yl-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057253
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486419
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
CID 138724732
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
2-[3-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111545074
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide (CID 54929359) is 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cccc(CC(C)N)c1.
What is the InChIKey of 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide?
The InChIKey is GCBCOBVUTRRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(3)17-15(18)10-19-14-7-5-6-13(9-14)8-11(2)16/h5-7,9,11-12H,4,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide?
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 54929359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).