(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide

C15H23NO2 — CID 9173438

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13(5)18-14-9-11(3)8-12(4)10-14/h8-10,13H,6-7H2,1-5H3/t13-/m1/s1
InChIKeyHYSNVZWHTNVPNT-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide

(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide (PubChem CID 9173438) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
PubChem CID9173438
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13(5)18-14-9-11(3)8-12(4)10-14/h8-10,13H,6-7H2,1-5H3/t13-/m1/s1
InChIKeyHYSNVZWHTNVPNT-CYBMUJFWSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
methyl 3-[ethyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61006680
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483
N,N-diethyl-2-(7-hydroxynaphthalen-2-yl)oxypropanamide
CID 43143630
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719457
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852
N,N-diethyl-2-[4-[1-(ethylamino)ethyl]phenoxy]propanamide
CID 43279277

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide (CID 9173438) is (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
The InChIKey is HYSNVZWHTNVPNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16(7-2)15(17)13(5)18-14-9-11(3)8-12(4)10-14/h8-10,13H,6-7H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide?
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide has a molecular weight of 249.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 9173438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).