oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

C24H23NO4 — CID 16605574

IUPACoxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESO=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCC1CCCO1
InChIInChI=1S/C24H23NO4/c26-23(15-18-9-5-8-17-7-1-2-11-20(17)18)25-22-13-4-3-12-21(22)24(27)29-16-19-10-6-14-28-19/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,26)
InChIKeyFIKMUTBJRRFIAX-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.36
Rot. Bonds6

About oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (PubChem CID 16605574) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
PubChem CID16605574
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameoxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESO=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCC1CCCO1
InChIInChI=1S/C24H23NO4/c26-23(15-18-9-5-8-17-7-1-2-11-20(17)18)25-22-13-4-3-12-21(22)24(27)29-16-19-10-6-14-28-19/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,26)
InChIKeyFIKMUTBJRRFIAX-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 3980497
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
oxolan-2-ylmethyl 2-[2-(methylamino)ethyl]benzoate
CID 104548522
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 2312808
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The IUPAC name of oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (CID 16605574) is oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The canonical SMILES for oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The InChIKey is FIKMUTBJRRFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(15-18-9-5-8-17-7-1-2-11-20(17)18)25-22-13-4-3-12-21(22)24(27)29-16-19-10-6-14-28-19/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,26).
What are the key properties of oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate has a molecular weight of 389.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 16605574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).