ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate

C19H24N2O4 — CID 24662485

IUPACethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-5-24-17(22)15-9-10-25-16(15)12-20-13-7-6-8-14(11-13)21-18(23)19(2,3)4/h6-11,20H,5,12H2,1-4H3,(H,21,23)
InChIKeyRPKZRNXPRICMPE-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.05
Rot. Bonds6

About ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate

ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate (PubChem CID 24662485) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate
PubChem CID24662485
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H24N2O4/c1-5-24-17(22)15-9-10-25-16(15)12-20-13-7-6-8-14(11-13)21-18(23)19(2,3)4/h6-11,20H,5,12H2,1-4H3,(H,21,23)
InChIKeyRPKZRNXPRICMPE-UHFFFAOYSA-N
XLogP4.05
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
2-[(3-propan-2-ylanilino)methyl]furan-3-carboxylic acid
CID 103236549
ethyl 2-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 31763392
2,2-dimethyl-N-[3-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 26163504
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 6-[3-(2,2-dimethylpropanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 4297421
methyl 2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]oxymethyl]furan-3-carboxylate
CID 31158485
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate (CID 24662485) is ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CNc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate?
The InChIKey is RPKZRNXPRICMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-24-17(22)15-9-10-25-16(15)12-20-13-7-6-8-14(11-13)21-18(23)19(2,3)4/h6-11,20H,5,12H2,1-4H3,(H,21,23).
What are the key properties of ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate?
ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2,2-dimethylpropanoylamino)anilino]methyl]furan-3-carboxylate is sourced from PubChem (CID 24662485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).