N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

C16H18N2O4 — CID 2991250

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-21-13-7-5-12(6-8-13)18-15(19)10-17-16(20)14-9-4-11(2)22-14/h4-9H,3,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWBHOKTSDKGMQHM-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (PubChem CID 2991250) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
PubChem CID2991250
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C16H18N2O4/c1-3-21-13-7-5-12(6-8-13)18-15(19)10-17-16(20)14-9-4-11(2)22-14/h4-9H,3,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWBHOKTSDKGMQHM-UHFFFAOYSA-N
XLogP2.36
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (CID 2991250) is N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is CCOc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The InChIKey is WBHOKTSDKGMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-21-13-7-5-12(6-8-13)18-15(19)10-17-16(20)14-9-4-11(2)22-14/h4-9H,3,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2991250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).