N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H22N2O4 — CID 7611492

IUPACN-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C18H22N2O4/c1-4-23-14-9-6-5-8-13(14)19-18(22)16(12(2)3)20-17(21)15-10-7-11-24-15/h5-12,16H,4H2,1-3H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeySDPNDGKDQROMLQ-INIZCTEOSA-N
MW330.38 g/mol
LogP3.07
Rot. Bonds7

About N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 7611492) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID7611492
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C18H22N2O4/c1-4-23-14-9-6-5-8-13(14)19-18(22)16(12(2)3)20-17(21)15-10-7-11-24-15/h5-12,16H,4H2,1-3H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKeySDPNDGKDQROMLQ-INIZCTEOSA-N
XLogP3.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 4880570
4-tert-butyl-N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 8926946
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 46791499
N-[(2S)-1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611817
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 7611492) is N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is SDPNDGKDQROMLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-23-14-9-6-5-8-13(14)19-18(22)16(12(2)3)20-17(21)15-10-7-11-24-15/h5-12,16H,4H2,1-3H3,(H,19,22)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).