[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate

C24H24N2O5 — CID 18141468

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccco1
InChIInChI=1S/C24H24N2O5/c1-3-26(15-18-10-5-4-6-11-18)21(27)16-31-24(29)19-12-7-9-17(2)22(19)25-23(28)20-13-8-14-30-20/h4-14H,3,15-16H2,1-2H3,(H,25,28)
InChIKeyZPMRRJYVLHNCRN-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.05
Rot. Bonds8

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate (PubChem CID 18141468) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
PubChem CID18141468
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccco1
InChIInChI=1S/C24H24N2O5/c1-3-26(15-18-10-5-4-6-11-18)21(27)16-31-24(29)19-12-7-9-17(2)22(19)25-23(28)20-13-8-14-30-20/h4-14H,3,15-16H2,1-2H3,(H,25,28)
InChIKeyZPMRRJYVLHNCRN-UHFFFAOYSA-N
XLogP4.05
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 2-(furan-2-carbonylamino)-3-methylbenzoate
CID 17477041
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18267738
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate
CID 18206151
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
1-benzyl-1-ethyl-3-(furan-2-yl)urea
CID 108868477
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46694891
2-[4-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917294
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate (CID 18141468) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1cccc(C)c1NC(=O)c1ccco1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate?
The InChIKey is ZPMRRJYVLHNCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-26(15-18-10-5-4-6-11-18)21(27)16-31-24(29)19-12-7-9-17(2)22(19)25-23(28)20-13-8-14-30-20/h4-14H,3,15-16H2,1-2H3,(H,25,28).
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate has a molecular weight of 420.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbenzoate is sourced from PubChem (CID 18141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).