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

C24H34N6O3 — CID 53347970

IUPAC2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)C(C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C24H34N6O3/c1-17(24(32)25-18-10-6-7-11-18)30(19-12-4-3-5-13-19)22(31)16-29-27-23(26-28-29)20-14-8-9-15-21(20)33-2/h8-9,14-15,17-19H,3-7,10-13,16H2,1-2H3,(H,25,32)
InChIKeyZJIZWTADKHNLKP-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.96
Rot. Bonds8

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

2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 53347970) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
PubChem CID53347970
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)C(C)C(=O)NC2CCCC2)n1
InChIInChI=1S/C24H34N6O3/c1-17(24(32)25-18-10-6-7-11-18)30(19-12-4-3-5-13-19)22(31)16-29-27-23(26-28-29)20-14-8-9-15-21(20)33-2/h8-9,14-15,17-19H,3-7,10-13,16H2,1-2H3,(H,25,32)
InChIKeyZJIZWTADKHNLKP-UHFFFAOYSA-N
XLogP2.96
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (CID 53347970) is 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is COc1ccccc1-c1nnn(CC(=O)N(C2CCCCC2)C(C)C(=O)NC2CCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is ZJIZWTADKHNLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-17(24(32)25-18-10-6-7-11-18)30(19-12-4-3-5-13-19)22(31)16-29-27-23(26-28-29)20-14-8-9-15-21(20)33-2/h8-9,14-15,17-19H,3-7,10-13,16H2,1-2H3,(H,25,32).
What are the key properties of 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 454.58 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 53347970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).