(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid

C18H21NO4 — CID 124925981

IUPAC(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid
SMILESCCc1cccc(CC)c1N(C(=O)c1ccco1)[C@H](C)C(=O)O
InChIInChI=1S/C18H21NO4/c1-4-13-8-6-9-14(5-2)16(13)19(12(3)18(21)22)17(20)15-10-7-11-23-15/h6-12H,4-5H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyFKQGXXOHZUTZBF-GFCCVEGCSA-N
MW315.37 g/mol
LogP3.52
Rot. Bonds6

About (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid

(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid (PubChem CID 124925981) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid
PubChem CID124925981
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid
SMILESCCc1cccc(CC)c1N(C(=O)c1ccco1)[C@H](C)C(=O)O
InChIInChI=1S/C18H21NO4/c1-4-13-8-6-9-14(5-2)16(13)19(12(3)18(21)22)17(20)15-10-7-11-23-15/h6-12H,4-5H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyFKQGXXOHZUTZBF-GFCCVEGCSA-N
XLogP3.52
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(furan-2-yl)acetyl]-methylamino]propanoic acid
CID 110834471
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
N,N-dibenzylfuran-2-carboxamide
CID 762503
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
CID 102027325
N-[3-[2-(N-methylanilino)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55840397
N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 24715098
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
N-butyl-N-methylfuran-2-carboxamide
CID 60670878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid?
The IUPAC name of (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid (CID 124925981) is (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid.
What is the SMILES notation for (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid?
The canonical SMILES for (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid is CCc1cccc(CC)c1N(C(=O)c1ccco1)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid?
The InChIKey is FKQGXXOHZUTZBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-13-8-6-9-14(5-2)16(13)19(12(3)18(21)22)17(20)15-10-7-11-23-15/h6-12H,4-5H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid?
(2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid has a molecular weight of 315.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2,6-diethyl-N-(furan-2-carbonyl)anilino]propanoic acid is sourced from PubChem (CID 124925981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).