(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate

C22H19NO4 — CID 1218309

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO4/c1-2-21(25)23-17-12-10-16(11-13-17)22(26)27-14-20(24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyGDDILYJIRFKYJZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.23
Rot. Bonds6

About (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate

(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate (PubChem CID 1218309) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
PubChem CID1218309
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H19NO4/c1-2-21(25)23-17-12-10-16(11-13-17)22(26)27-14-20(24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,23,25)
InChIKeyGDDILYJIRFKYJZ-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) 2-(propanoylamino)benzoate
CID 1218310
(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 126184955
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-phenylbenzoate
CID 7229145
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909124
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-propan-2-ylquinoline-4-carboxylate
CID 46827542
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 7785327
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] pyridine-2-carboxylate
CID 7477357
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
CID 2344876
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate (CID 1218309) is (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate is CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate?
The InChIKey is GDDILYJIRFKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-2-21(25)23-17-12-10-16(11-13-17)22(26)27-14-20(24)19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,2,14H2,1H3,(H,23,25).
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate?
(2-naphthalen-1-yl-2-oxoethyl) 4-(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) 4-(propanoylamino)benzoate is sourced from PubChem (CID 1218309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).