(2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide

C25H32N6O4 — CID 1153707

About (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide

(2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide (PubChem CID 1153707) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
• PubChem CID: 1153707
• Molecular Formula: C25H32N6O4
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.25
• IUPAC Name: (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
• SMILES: CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
• InChI: InChI=1S/C25H32N6O4/c1-4-21(25(33)26-19-7-5-6-8-19)30(15-18-10-12-20(34-3)13-11-18)23(32)16-31-28-24(27-29-31)22-14-9-17(2)35-22/h9-14,19,21H,4-8,15-16H2,1-3H3,(H,26,33)/t21-/m1/s1
• InChIKey: PKRXBMQHHCBTIH-OAQYLSRUSA-N
• XLogP: 3.12
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The IUPAC name of (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide (CID 1153707) is (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide is CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1.

What is the InChIKey of (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The InChIKey is PKRXBMQHHCBTIH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-4-21(25(33)26-19-7-5-6-8-19)30(15-18-10-12-20(34-3)13-11-18)23(32)16-31-28-24(27-29-31)22-14-9-17(2)35-22/h9-14,19,21H,4-8,15-16H2,1-3H3,(H,26,33)/t21-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

(2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide has a molecular weight of 480.57 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide is sourced from PubChem (CID 1153707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).