2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide

C16H26N2O2 — CID 63366990

IUPAC2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)18-16(19)12(4)20-15-10-8-7-9-14(15)11(3)17/h7-13H,5-6,17H2,1-4H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyXFQVUVSYKNYPMS-JHJMLUEUSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds7

About 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide

2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide (PubChem CID 63366990) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
PubChem CID63366990
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)18-16(19)12(4)20-15-10-8-7-9-14(15)11(3)17/h7-13H,5-6,17H2,1-4H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyXFQVUVSYKNYPMS-JHJMLUEUSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
CID 63366244
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43116458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide (CID 63366990) is 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is XFQVUVSYKNYPMS-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(6-2)18-16(19)12(4)20-15-10-8-7-9-14(15)11(3)17/h7-13H,5-6,17H2,1-4H3,(H,18,19)/t11-,12?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide?
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63366990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).