2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide

C23H32N6O2 — CID 53347998

IUPAC2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H32N6O2/c1-17(23(31)24-19-12-8-9-13-19)29(20-14-6-3-7-15-20)21(30)16-28-26-22(25-27-28)18-10-4-2-5-11-18/h2,4-5,10-11,17,19-20H,3,6-9,12-16H2,1H3,(H,24,31)
InChIKeyZUYATHKWKSKCKO-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.95
Rot. Bonds7

About 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide

2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 53347998) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide
PubChem CID53347998
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C23H32N6O2/c1-17(23(31)24-19-12-8-9-13-19)29(20-14-6-3-7-15-20)21(30)16-28-26-22(25-27-28)18-10-4-2-5-11-18/h2,4-5,10-11,17,19-20H,3,6-9,12-16H2,1H3,(H,24,31)
InChIKeyZUYATHKWKSKCKO-UHFFFAOYSA-N
XLogP2.95
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.95
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-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide (CID 53347998) is 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is ZUYATHKWKSKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-17(23(31)24-19-12-8-9-13-19)29(20-14-6-3-7-15-20)21(30)16-28-26-22(25-27-28)18-10-4-2-5-11-18/h2,4-5,10-11,17,19-20H,3,6-9,12-16H2,1H3,(H,24,31).
What are the key properties of 2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide?
2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 424.55 g/mol, XLogP of 2.95, 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-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 53347998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).