[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C22H21NO4 — CID 7663083

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO4/c1-17-20(12-13-26-17)22(25)27-16-21(24)23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-13H,14-16H2,1H3
InChIKeyHPJQUVAMSBQCTL-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.97
Rot. Bonds7

About [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 7663083) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID7663083
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO4/c1-17-20(12-13-26-17)22(25)27-16-21(24)23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-13H,14-16H2,1H3
InChIKeyHPJQUVAMSBQCTL-UHFFFAOYSA-N
XLogP3.97
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dibenzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504988
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664239
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966058
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
[2-(dibenzylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7382347
[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 23988753
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
CID 18141468
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
2-amino-N,N-dibenzylacetamide
CID 11107897
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 7663083) is [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is HPJQUVAMSBQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-17-20(12-13-26-17)22(25)27-16-21(24)23(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19/h2-13H,14-16H2,1H3.
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 7663083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).