2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide

C16H26N2O2 — CID 63367482

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc([C@H](C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(4,5)18-15(19)12(3)20-14-9-7-13(8-10-14)11(2)17/h7-12H,6,17H2,1-5H3,(H,18,19)/t11-,12?/m0/s1
InChIKeyMZJBSVQBSHTSSD-PXYINDEMSA-N
MW278.40 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63367482) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID63367482
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc([C@H](C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-6-16(4,5)18-15(19)12(3)20-14-9-7-13(8-10-14)11(2)17/h7-12H,6,17H2,1-5H3,(H,18,19)/t11-,12?/m0/s1
InChIKeyMZJBSVQBSHTSSD-PXYINDEMSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79790620
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79800064
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
CID 78934009
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 115968798
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide (CID 63367482) is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc([C@H](C)N)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is MZJBSVQBSHTSSD-PXYINDEMSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-16(4,5)18-15(19)12(3)20-14-9-7-13(8-10-14)11(2)17/h7-12H,6,17H2,1-5H3,(H,18,19)/t11-,12?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide?
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63367482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).