N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

C25H30N2O4 — CID 7412289

About N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7412289) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 7412289
• Molecular Formula: C25H30N2O4
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.22
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1
• InChI: InChI=1S/C25H30N2O4/c1-4-19(2)27(25(29)23-11-8-16-30-23)18-24(28)26(17-22-13-12-20(3)31-22)15-14-21-9-6-5-7-10-21/h5-13,16,19H,4,14-15,17-18H2,1-3H3/t19-/m0/s1
• InChIKey: FHLYKWUZJFVDFM-IBGZPJMESA-N
• XLogP: 4.69
• TPSA: 66.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 7412289) is N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1.

What is the InChIKey of N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is FHLYKWUZJFVDFM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2O4/c1-4-19(2)27(25(29)23-11-8-16-30-23)18-24(28)26(17-22-13-12-20(3)31-22)15-14-21-9-6-5-7-10-21/h5-13,16,19H,4,14-15,17-18H2,1-3H3/t19-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?

N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7412289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).