N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide

C26H34N6O6 — CID 3174622

IUPACN-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC
InChIInChI=1S/C26H34N6O6/c1-26(2,3)27-25(34)23(20-9-7-13-38-20)31(15-18-8-6-12-37-18)22(33)16-32-29-24(28-30-32)17-10-11-19(35-4)21(14-17)36-5/h7,9-11,13-14,18,23H,6,8,12,15-16H2,1-5H3,(H,27,34)
InChIKeyJSRWRLODEGPMOQ-UHFFFAOYSA-N
MW526.59 g/mol
LogP2.61
Rot. Bonds10

About N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide

N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide (PubChem CID 3174622) has the molecular formula C26H34N6O6 and a molecular weight of 526.59 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
PubChem CID3174622
Molecular FormulaC26H34N6O6
Molecular Weight526.59 g/mol
Exact Mass526.25
IUPAC NameN-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC
InChIInChI=1S/C26H34N6O6/c1-26(2,3)27-25(34)23(20-9-7-13-38-20)31(15-18-8-6-12-37-18)22(33)16-32-29-24(28-30-32)17-10-11-19(35-4)21(14-17)36-5/h7,9-11,13-14,18,23H,6,8,12,15-16H2,1-5H3,(H,27,34)
InChIKeyJSRWRLODEGPMOQ-UHFFFAOYSA-N
XLogP2.61
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide (CID 3174622) is N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide is COc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC.
What is the InChIKey of N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide?
The InChIKey is JSRWRLODEGPMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O6/c1-26(2,3)27-25(34)23(20-9-7-13-38-20)31(15-18-8-6-12-37-18)22(33)16-32-29-24(28-30-32)17-10-11-19(35-4)21(14-17)36-5/h7,9-11,13-14,18,23H,6,8,12,15-16H2,1-5H3,(H,27,34).
What are the key properties of N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide?
N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide has a molecular weight of 526.59 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3174622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).