[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H18ClNO4 — CID 7844560

IUPAC[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C17H18ClNO4/c1-10-8-14(12(3)23-10)17(21)22-9-16(20)19-11(2)13-6-4-5-7-15(13)18/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyPTEFAIXKYZMSBO-LLVKDONJSA-N
MW335.79 g/mol
LogP3.58
Rot. Bonds5

About [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7844560) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7844560
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C17H18ClNO4/c1-10-8-14(12(3)23-10)17(21)22-9-16(20)19-11(2)13-6-4-5-7-15(13)18/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyPTEFAIXKYZMSBO-LLVKDONJSA-N
XLogP3.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9492109
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870817
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953788
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873545
[2-(2,6-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2361469
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980174
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 7486648
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-benzylbenzoate
CID 7809595
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603347
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607480
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-bromobenzoate
CID 7889701
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792467

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7844560) is [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2Cl)c(C)o1.
What is the InChIKey of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is PTEFAIXKYZMSBO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-10-8-14(12(3)23-10)17(21)22-9-16(20)19-11(2)13-6-4-5-7-15(13)18/h4-8,11H,9H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 335.79 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7844560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).