N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C23H28N6O5 — CID 3179731

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)n2)cc1OC
InChIInChI=1S/C23H28N6O5/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyUJBCQVQIBZTABG-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.04
Rot. Bonds10

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3179731) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3179731
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)n2)cc1OC
InChIInChI=1S/C23H28N6O5/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30)
InChIKeyUJBCQVQIBZTABG-UHFFFAOYSA-N
XLogP2.04
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 3179731) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccco3)n2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UJBCQVQIBZTABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c1-32-19-10-9-16(12-20(19)33-2)23-25-27-29(26-23)15-22(31)28(13-18-8-5-11-34-18)14-21(30)24-17-6-3-4-7-17/h5,8-12,17H,3-4,6-7,13-15H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 468.51 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3179731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).