2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

C26H38N6O4 — CID 53347937

IUPAC2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H38N6O4/c1-18(26(34)27-21-11-7-8-12-21)31(16-19-9-5-4-6-10-19)24(33)17-32-29-25(28-30-32)20-13-14-22(35-2)23(15-20)36-3/h13-15,18-19,21H,4-12,16-17H2,1-3H3,(H,27,34)
InChIKeyDJDUDNHMMVVFDH-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.21
Rot. Bonds10

About 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 53347937) has the molecular formula C26H38N6O4 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
PubChem CID53347937
Molecular FormulaC26H38N6O4
Molecular Weight498.63 g/mol
Exact Mass498.30
IUPAC Name2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
InChIInChI=1S/C26H38N6O4/c1-18(26(34)27-21-11-7-8-12-21)31(16-19-9-5-4-6-10-19)24(33)17-32-29-25(28-30-32)20-13-14-22(35-2)23(15-20)36-3/h13-15,18-19,21H,4-12,16-17H2,1-3H3,(H,27,34)
InChIKeyDJDUDNHMMVVFDH-UHFFFAOYSA-N
XLogP3.21
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (CID 53347937) is 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is COc1ccc(-c2nnn(CC(=O)N(CC3CCCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC.
What is the InChIKey of 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is DJDUDNHMMVVFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O4/c1-18(26(34)27-21-11-7-8-12-21)31(16-19-9-5-4-6-10-19)24(33)17-32-29-25(28-30-32)20-13-14-22(35-2)23(15-20)36-3/h13-15,18-19,21H,4-12,16-17H2,1-3H3,(H,27,34).
What are the key properties of 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 498.63 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 53347937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).