N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide

C16H23N5O3 — CID 124731341

About N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide (PubChem CID 124731341) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide
• PubChem CID: 124731341
• Molecular Formula: C16H23N5O3
• Molecular Weight: 333.39 g/mol
• Exact Mass: 333.18
• IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)[C@H](C)n1cncn1
• InChI: InChI=1S/C16H23N5O3/c1-10(2)14(20-15(22)13-6-5-7-24-13)16(23)19-11(3)12(4)21-9-17-8-18-21/h5-12,14H,1-4H3,(H,19,23)(H,20,22)/t11-,12+,14+/m1/s1
• InChIKey: IVEGHJRVMBHJOL-DYEKYZERSA-N
• XLogP: 1.39
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.39
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide (CID 124731341) is N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)[C@H](C)n1cncn1.

What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide?

The InChIKey is IVEGHJRVMBHJOL-DYEKYZERSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(2)14(20-15(22)13-6-5-7-24-13)16(23)19-11(3)12(4)21-9-17-8-18-21/h5-12,14H,1-4H3,(H,19,23)(H,20,22)/t11-,12+,14+/m1/s1.

What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide?

N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 124731341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).