[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C17H16ClNO4 — CID 8732373

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)NC1CC1
InChIInChI=1S/C17H16ClNO4/c18-14-7-8-15(13-4-2-1-3-12(13)14)22-10-17(21)23-9-16(20)19-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,19,20)
InChIKeyPLQVRYRWSMXCMF-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.69
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732373) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732373
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)NC1CC1
InChIInChI=1S/C17H16ClNO4/c18-14-7-8-15(13-4-2-1-3-12(13)14)22-10-17(21)23-9-16(20)19-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,19,20)
InChIKeyPLQVRYRWSMXCMF-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
2-(4-chloronaphthalen-1-yl)oxy-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 95350250
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732823
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732816
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732373) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is O=C(COC(=O)COc1ccc(Cl)c2ccccc12)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is PLQVRYRWSMXCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-14-7-8-15(13-4-2-1-3-12(13)14)22-10-17(21)23-9-16(20)19-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 333.77 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).