N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide

C26H34N6O4 — CID 652215

IUPACN-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C26H34N6O4/c1-17-8-11-19(12-9-17)23(25(34)27-26(3,4)5)31(15-20-7-6-14-35-20)22(33)16-32-29-24(28-30-32)21-13-10-18(2)36-21/h8-13,20,23H,6-7,14-16H2,1-5H3,(H,27,34)
InChIKeyTXBBCCNMFHSUFW-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.21
Rot. Bonds8

About N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide

N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide (PubChem CID 652215) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide
PubChem CID652215
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC NameN-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NC(C)(C)C)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C26H34N6O4/c1-17-8-11-19(12-9-17)23(25(34)27-26(3,4)5)31(15-20-7-6-14-35-20)22(33)16-32-29-24(28-30-32)21-13-10-18(2)36-21/h8-13,20,23H,6-7,14-16H2,1-5H3,(H,27,34)
InChIKeyTXBBCCNMFHSUFW-UHFFFAOYSA-N
XLogP3.21
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide (CID 652215) is N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NC(C)(C)C)N(CC2CCCO2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide?
The InChIKey is TXBBCCNMFHSUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-17-8-11-19(12-9-17)23(25(34)27-26(3,4)5)31(15-20-7-6-14-35-20)22(33)16-32-29-24(28-30-32)21-13-10-18(2)36-21/h8-13,20,23H,6-7,14-16H2,1-5H3,(H,27,34).
What are the key properties of N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide?
N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide has a molecular weight of 494.60 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 652215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).