2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

C24H34N6O2 — CID 5018540

IUPAC2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C24H34N6O2/c1-17-12-14-19(15-13-17)23-26-28-29(27-23)16-22(31)30(21-10-4-3-5-11-21)18(2)24(32)25-20-8-6-7-9-20/h12-15,18,20-21H,3-11,16H2,1-2H3,(H,25,32)
InChIKeyOYZHEVBWHINBJA-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.26
Rot. Bonds7

About 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 5018540) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
PubChem CID5018540
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C24H34N6O2/c1-17-12-14-19(15-13-17)23-26-28-29(27-23)16-22(31)30(21-10-4-3-5-11-21)18(2)24(32)25-20-8-6-7-9-20/h12-15,18,20-21H,3-11,16H2,1-2H3,(H,25,32)
InChIKeyOYZHEVBWHINBJA-UHFFFAOYSA-N
XLogP3.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (CID 5018540) is 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is Cc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is OYZHEVBWHINBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-17-12-14-19(15-13-17)23-26-28-29(27-23)16-22(31)30(21-10-4-3-5-11-21)18(2)24(32)25-20-8-6-7-9-20/h12-15,18,20-21H,3-11,16H2,1-2H3,(H,25,32).
What are the key properties of 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 438.58 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 5018540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).