[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

C18H20ClNO5 — CID 8631415

IUPAC[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C18H20ClNO5/c1-11-7-14(19)8-12(2)17(11)24-10-16(21)25-13(3)18(22)20-9-15-5-4-6-23-15/h4-8,13H,9-10H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyUUFAYXVJPYGGFK-ZDUSSCGKSA-N
MW365.81 g/mol
LogP3.18
Rot. Bonds7

About [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (PubChem CID 8631415) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
PubChem CID8631415
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C)C(=O)NCc1ccco1
InChIInChI=1S/C18H20ClNO5/c1-11-7-14(19)8-12(2)17(11)24-10-16(21)25-13(3)18(22)20-9-15-5-4-6-23-15/h4-8,13H,9-10H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyUUFAYXVJPYGGFK-ZDUSSCGKSA-N
XLogP3.18
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate with MolForge

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842567
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234960
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8555573
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7429400

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (CID 8631415) is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The canonical SMILES for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is Cc1cc(Cl)cc(C)c1OCC(=O)O[C@@H](C)C(=O)NCc1ccco1.
What is the InChIKey of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The InChIKey is UUFAYXVJPYGGFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-11-7-14(19)8-12(2)17(11)24-10-16(21)25-13(3)18(22)20-9-15-5-4-6-23-15/h4-8,13H,9-10H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate has a molecular weight of 365.81 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 8631415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).