2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide

C15H24N2O2 — CID 63367483

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-7-13(8-10-14)11(3)16/h7-12H,5-6,16H2,1-4H3/t11-,12?/m0/s1
InChIKeyADPWRILCPUYBEZ-PXYINDEMSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide

2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide (PubChem CID 63367483) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
PubChem CID63367483
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccc([C@H](C)N)cc1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-7-13(8-10-14)11(3)16/h7-12H,5-6,16H2,1-4H3/t11-,12?/m0/s1
InChIKeyADPWRILCPUYBEZ-PXYINDEMSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
2-(4-carbamothioyl-3-chlorophenoxy)-N,N-diethylpropanamide
CID 102724136
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide (CID 63367483) is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccc([C@H](C)N)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide?
The InChIKey is ADPWRILCPUYBEZ-PXYINDEMSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)15(18)12(4)19-14-9-7-13(8-10-14)11(3)16/h7-12H,5-6,16H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide?
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 63367483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).