N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide

C19H24N2O3 — CID 7611111

IUPACN-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)14-7-9-15(10-8-14)20-19(23)17(13(3)4)21-18(22)16-6-5-11-24-16/h5-13,17H,1-4H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyYIYGZUXCXKSVLY-KRWDZBQOSA-N
MW328.41 g/mol
LogP3.80
Rot. Bonds6

About N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide (PubChem CID 7611111) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
PubChem CID7611111
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)14-7-9-15(10-8-14)20-19(23)17(13(3)4)21-18(22)16-6-5-11-24-16/h5-13,17H,1-4H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyYIYGZUXCXKSVLY-KRWDZBQOSA-N
XLogP3.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9259995
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[(2S)-1-[4-(2-chlorophenoxy)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24533663
methyl 2-[[2-[4-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
CID 55781658
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide (CID 7611111) is N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide is CC(C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide?
The InChIKey is YIYGZUXCXKSVLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)14-7-9-15(10-8-14)20-19(23)17(13(3)4)21-18(22)16-6-5-11-24-16/h5-13,17H,1-4H3,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7611111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).