2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate

C23H28N6O4 — CID 2945616

IUPAC2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
SMILESCOCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
InChIInChI=1S/C23H28N6O4/c1-28(20(30)16-32-2)23(12-5-6-13-23)21-25-26-27-29(21)14-15-33-22(31)24-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-16H2,1-2H3,(H,24,31)
InChIKeyXPPWOFVVNDFVPR-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.95
Rot. Bonds8

About 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate

2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate (PubChem CID 2945616) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
PubChem CID2945616
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
SMILESCOCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
InChIInChI=1S/C23H28N6O4/c1-28(20(30)16-32-2)23(12-5-6-13-23)21-25-26-27-29(21)14-15-33-22(31)24-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-16H2,1-2H3,(H,24,31)
InChIKeyXPPWOFVVNDFVPR-UHFFFAOYSA-N
XLogP2.95
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The IUPAC name of 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate (CID 2945616) is 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate.
What is the SMILES notation for 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The canonical SMILES for 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate is COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1.
What is the InChIKey of 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
The InChIKey is XPPWOFVVNDFVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-28(20(30)16-32-2)23(12-5-6-13-23)21-25-26-27-29(21)14-15-33-22(31)24-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,5-6,12-16H2,1-2H3,(H,24,31).
What are the key properties of 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate?
2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate has a molecular weight of 452.52 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2-methoxyacetyl)-methylamino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 2945616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).