N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide

C17H20N2O4 — CID 113060744

IUPACN-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccco1)C(C)=O
InChIInChI=1S/C17H20N2O4/c1-3-22-15-8-5-4-7-14(15)19(13(2)20)11-10-18-17(21)16-9-6-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyLLKVWBGCQUOQBS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.46
Rot. Bonds7

About N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide (PubChem CID 113060744) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
PubChem CID113060744
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccco1)C(C)=O
InChIInChI=1S/C17H20N2O4/c1-3-22-15-8-5-4-7-14(15)19(13(2)20)11-10-18-17(21)16-9-6-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyLLKVWBGCQUOQBS-UHFFFAOYSA-N
XLogP2.46
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide (CID 113060744) is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide is CCOc1ccccc1N(CCNC(=O)c1ccco1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide?
The InChIKey is LLKVWBGCQUOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-22-15-8-5-4-7-14(15)19(13(2)20)11-10-18-17(21)16-9-6-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide?
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113060744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).