(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate

C22H19NO4 — CID 1218310

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-2-21(25)23-19-13-6-5-11-18(19)22(26)27-14-20(24)17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyJKLSBDTXFBNFNN-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.23
Rot. Bonds6

About (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate

(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate (PubChem CID 1218310) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
PubChem CID1218310
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO4/c1-2-21(25)23-19-13-6-5-11-18(19)22(26)27-14-20(24)17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyJKLSBDTXFBNFNN-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
ethyl 2-(propanoylamino)benzoate
CID 4190428
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085
3-phenylprop-2-enyl 2-(propanoylamino)benzoate
CID 174317231
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 2312808
(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
CID 19972770
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate (CID 1218310) is (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate is CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate?
The InChIKey is JKLSBDTXFBNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-2-21(25)23-19-13-6-5-11-18(19)22(26)27-14-20(24)17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate?
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate is sourced from PubChem (CID 1218310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).