(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide

C13H18ClNO2 — CID 40538344

IUPAC(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)10(3)17-12-8-6-7-11(14)9-12/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyYOIVYRPDHWQXCC-JTQLQIEISA-N
MW255.75 g/mol
LogP2.98
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide

(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide (PubChem CID 40538344) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
PubChem CID40538344
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)10(3)17-12-8-6-7-11(14)9-12/h6-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyYOIVYRPDHWQXCC-JTQLQIEISA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
N,N-diethyl-2-[3-(propylaminomethyl)phenoxy]propanamide
CID 43278392
(2S)-2-(3-chlorophenoxy)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8875176
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide (CID 40538344) is (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide?
The InChIKey is YOIVYRPDHWQXCC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)10(3)17-12-8-6-7-11(14)9-12/h6-10H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide?
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 40538344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).