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

C20H20N2O3 — CID 9138688

IUPACN-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3/c1-13(2)18(22-19(23)17-8-5-11-25-17)20(24)21-16-10-9-14-6-3-4-7-15(14)12-16/h3-13,18H,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyYPBFNJATBLJMQR-SFHVURJKSA-N
MW336.39 g/mol
LogP3.83
Rot. Bonds5

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

N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 9138688) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID9138688
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3/c1-13(2)18(22-19(23)17-8-5-11-25-17)20(24)21-16-10-9-14-6-3-4-7-15(14)12-16/h3-13,18H,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyYPBFNJATBLJMQR-SFHVURJKSA-N
XLogP3.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
N-[(2S)-1-[4-(2-chlorophenoxy)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24533663
N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9259995
N-[1-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55778376
2-methoxyethyl N-[3-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]carbamate
CID 47740738
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[3-methyl-1-oxo-1-(4-piperidin-1-ylanilino)butan-2-yl]furan-2-carboxamide
CID 42908988

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide (CID 9138688) is N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is YPBFNJATBLJMQR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(2)18(22-19(23)17-8-5-11-25-17)20(24)21-16-10-9-14-6-3-4-7-15(14)12-16/h3-13,18H,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.83, 5 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-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 9138688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).