(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate

C19H21Cl2NO2 — CID 54312998

IUPAC(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESCCc1cccc(C)c1N[C@@H](C)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-4-14-7-5-6-12(2)18(14)22-13(3)19(23)24-11-15-8-9-16(20)10-17(15)21/h5-10,13,22H,4,11H2,1-3H3/t13-/m0/s1
InChIKeySMEZNZJKKMHLEM-ZDUSSCGKSA-N
MW366.29 g/mol
LogP5.41
Rot. Bonds6

About (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate

(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate (PubChem CID 54312998) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
PubChem CID54312998
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
SMILESCCc1cccc(C)c1N[C@@H](C)C(=O)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-4-14-7-5-6-12(2)18(14)22-13(3)19(23)24-11-15-8-9-16(20)10-17(15)21/h5-10,13,22H,4,11H2,1-3H3/t13-/m0/s1
InChIKeySMEZNZJKKMHLEM-ZDUSSCGKSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-(2-ethyl-6-methylanilino)propanoate
CID 20574885
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336
N-[1-(2,5-dichlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448450
2-cyanoethyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 54474714
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
2-aminoacetic acid;prop-2-enyl (2S)-2-(2-ethyl-6-methylanilino)propanoate
CID 70567030
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
(2,4-dichlorophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842112
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951150
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The IUPAC name of (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate (CID 54312998) is (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate is CCc1cccc(C)c1N[C@@H](C)C(=O)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
The InChIKey is SMEZNZJKKMHLEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-4-14-7-5-6-12(2)18(14)22-13(3)19(23)24-11-15-8-9-16(20)10-17(15)21/h5-10,13,22H,4,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate?
(2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate has a molecular weight of 366.29 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl (2S)-2-(2-ethyl-6-methylanilino)propanoate is sourced from PubChem (CID 54312998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).