(2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C23H30N6O4 — CID 40632060

About (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

(2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 40632060) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
• PubChem CID: 40632060
• Molecular Formula: C23H30N6O4
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.23
• IUPAC Name: (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
• SMILES: CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1
• InChI: InChI=1S/C23H30N6O4/c1-7-18(22(31)24-23(3,4)5)29(16-9-11-17(32-6)12-10-16)20(30)14-28-26-21(25-27-28)19-13-8-15(2)33-19/h8-13,18H,7,14H2,1-6H3,(H,24,31)/t18-/m1/s1
• InChIKey: ZLRPVZDJUANOTP-GOSISDBHSA-N
• XLogP: 2.98
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?

The IUPAC name of (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 40632060) is (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1.

What is the InChIKey of (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?

The InChIKey is ZLRPVZDJUANOTP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-7-18(22(31)24-23(3,4)5)29(16-9-11-17(32-6)12-10-16)20(30)14-28-26-21(25-27-28)19-13-8-15(2)33-19/h8-13,18H,7,14H2,1-6H3,(H,24,31)/t18-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?

(2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 454.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 40632060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).