2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

C21H32N6O3 — CID 644764

IUPAC2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C)(C)C
InChIInChI=1S/C21H32N6O3/c1-6-16(20(29)22-15-9-7-8-10-15)27(21(3,4)5)18(28)13-26-24-19(23-25-26)17-12-11-14(2)30-17/h11-12,15-16H,6-10,13H2,1-5H3,(H,22,29)
InChIKeyBDELSPDMKIYLKW-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.71
Rot. Bonds7

About 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (PubChem CID 644764) has the molecular formula C21H32N6O3 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
PubChem CID644764
Molecular FormulaC21H32N6O3
Molecular Weight416.53 g/mol
Exact Mass416.25
IUPAC Name2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C)(C)C
InChIInChI=1S/C21H32N6O3/c1-6-16(20(29)22-15-9-7-8-10-15)27(21(3,4)5)18(28)13-26-24-19(23-25-26)17-12-11-14(2)30-17/h11-12,15-16H,6-10,13H2,1-5H3,(H,22,29)
InChIKeyBDELSPDMKIYLKW-UHFFFAOYSA-N
XLogP2.71
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (CID 644764) is 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The InChIKey is BDELSPDMKIYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3/c1-6-16(20(29)22-15-9-7-8-10-15)27(21(3,4)5)18(28)13-26-24-19(23-25-26)17-12-11-14(2)30-17/h11-12,15-16H,6-10,13H2,1-5H3,(H,22,29).
What are the key properties of 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide has a molecular weight of 416.53 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 644764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).