2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide

C16H26N2O2 — CID 78936570

IUPAC2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-6-11(3)18-16(19)13(5)20-15-8-7-10(2)9-14(15)12(4)17/h7-9,11-13H,6,17H2,1-5H3,(H,18,19)/t11?,12-,13?/m1/s1
InChIKeyAXELICSSSDUDOK-OTTFEQOBSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide

2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide (PubChem CID 78936570) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
PubChem CID78936570
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-6-11(3)18-16(19)13(5)20-15-8-7-10(2)9-14(15)12(4)17/h7-9,11-13H,6,17H2,1-5H3,(H,18,19)/t11?,12-,13?/m1/s1
InChIKeyAXELICSSSDUDOK-OTTFEQOBSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63367220
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
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
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide (CID 78936570) is 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide?
The InChIKey is AXELICSSSDUDOK-OTTFEQOBSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-11(3)18-16(19)13(5)20-15-8-7-10(2)9-14(15)12(4)17/h7-9,11-13H,6,17H2,1-5H3,(H,18,19)/t11?,12-,13?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide?
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.70, 6 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]-4-methylphenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 78936570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).