[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate

C21H26N2O5 — CID 42923580

IUPAC[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1ccoc1
InChIInChI=1S/C21H26N2O5/c1-5-15(3)23(20(25)13-28-21(26)17-9-10-27-12-17)11-19(24)22-18-8-6-7-14(2)16(18)4/h6-10,12,15H,5,11,13H2,1-4H3,(H,22,24)
InChIKeyQRFKQUSJFDRYNA-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.32
Rot. Bonds8

About [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate

[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate (PubChem CID 42923580) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
PubChem CID42923580
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate
SMILESCCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1ccoc1
InChIInChI=1S/C21H26N2O5/c1-5-15(3)23(20(25)13-28-21(26)17-9-10-27-12-17)11-19(24)22-18-8-6-7-14(2)16(18)4/h6-10,12,15H,5,11,13H2,1-4H3,(H,22,24)
InChIKeyQRFKQUSJFDRYNA-UHFFFAOYSA-N
XLogP3.32
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-butan-2-yl]-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 51565065
2-[[(2R)-butan-2-yl]-[2-(2-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7816125
[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
CID 26984386
2-[[(2S)-butan-2-yl]-(2-phenylsulfanylacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 7821075
2-[[(2S)-butan-2-yl]-[2-(3-cyanophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7964497
N-butan-2-yl-3-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 112807272
2-[[(2S)-butan-2-yl]-[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7757516
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350
N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51887306
N-butan-2-yl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 42927926
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
N-[(2R)-butan-2-yl]-2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 30759801

Frequently Asked Questions

What is the IUPAC name of [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate (CID 42923580) is [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate is CCC(C)N(CC(=O)Nc1cccc(C)c1C)C(=O)COC(=O)c1ccoc1.
What is the InChIKey of [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate?
The InChIKey is QRFKQUSJFDRYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-15(3)23(20(25)13-28-21(26)17-9-10-27-12-17)11-19(24)22-18-8-6-7-14(2)16(18)4/h6-10,12,15H,5,11,13H2,1-4H3,(H,22,24).
What are the key properties of [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate?
[2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[butan-2-yl-[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 42923580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).