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

C24H28N6O4 — CID 3179735

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H28N6O4/c1-33-20-13-12-17(14-21(20)34-2)24-26-28-30(27-24)16-23(32)29(19-10-4-3-5-11-19)15-22(31)25-18-8-6-7-9-18/h3-5,10-14,18H,6-9,15-16H2,1-2H3,(H,25,31)
InChIKeyAAVOWGVPCLNWLG-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.45
Rot. Bonds9

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

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 3179735) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID3179735
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H28N6O4/c1-33-20-13-12-17(14-21(20)34-2)24-26-28-30(27-24)16-23(32)29(19-10-4-3-5-11-19)15-22(31)25-18-8-6-7-9-18/h3-5,10-14,18H,6-9,15-16H2,1-2H3,(H,25,31)
InChIKeyAAVOWGVPCLNWLG-UHFFFAOYSA-N
XLogP2.45
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-phenylacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide (CID 3179735) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is AAVOWGVPCLNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-33-20-13-12-17(14-21(20)34-2)24-26-28-30(27-24)16-23(32)29(19-10-4-3-5-11-19)15-22(31)25-18-8-6-7-9-18/h3-5,10-14,18H,6-9,15-16H2,1-2H3,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 464.53 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 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-phenylacetamide is sourced from PubChem (CID 3179735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).